2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine

C50H47N9O5 — CID 90924400

IUPAC2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(c1nc(N(C)Cc3cc(-c4ccc5c(N6CCOCC6)nc(C6COc7ccc(OC)cc7C6)nc5c4)ccn3)c3cc(-c4cn[nH]c4)ccc3n1)CO2
InChIInChI=1S/C50H47N9O5/c1-58(49-42-23-30(37-25-52-53-26-37)5-9-43(42)54-47(56-49)35-18-33-21-39(60-2)6-10-45(33)63-28-35)27-38-20-32(12-13-51-38)31-4-8-41-44(24-31)55-48(57-50(41)59-14-16-62-17-15-59)36-19-34-22-40(61-3)7-11-46(34)64-29-36/h4-13,20-26,35-36H,14-19,27-29H2,1-3H3,(H,52,53)
InChIKeyIITUYTJSIGONQM-UHFFFAOYSA-N
MW853.98 g/mol
LogP7.95
Rot. Bonds10

About 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine

2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine (PubChem CID 90924400) has the molecular formula C50H47N9O5 and a molecular weight of 853.98 g/mol. Its IUPAC name is 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine
PubChem CID90924400
Molecular FormulaC50H47N9O5
Molecular Weight853.98 g/mol
Exact Mass853.37
IUPAC Name2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(c1nc(N(C)Cc3cc(-c4ccc5c(N6CCOCC6)nc(C6COc7ccc(OC)cc7C6)nc5c4)ccn3)c3cc(-c4cn[nH]c4)ccc3n1)CO2
InChIInChI=1S/C50H47N9O5/c1-58(49-42-23-30(37-25-52-53-26-37)5-9-43(42)54-47(56-49)35-18-33-21-39(60-2)6-10-45(33)63-28-35)27-38-20-32(12-13-51-38)31-4-8-41-44(24-31)55-48(57-50(41)59-14-16-62-17-15-59)36-19-34-22-40(61-3)7-11-46(34)64-29-36/h4-13,20-26,35-36H,14-19,27-29H2,1-3H3,(H,52,53)
InChIKeyIITUYTJSIGONQM-UHFFFAOYSA-N
XLogP7.95
TPSA145.76 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500853.98
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine with MolForge

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Related Compounds

N1-(2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl)-N1,N2,N2-trimethylethane-1,2-diamine
CID 53318621
2-((2-(6-Methoxychroman-3-yl)-6-(1h-pyrazol-4-yl)quinazolin-4-yl)(methyl)amino)ethanol
CID 53319935
2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 53318622
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine
CID 171356463
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-(1H-pyrazol-4-yl)quinazolin-4-amine
CID 171356996
2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-methyl-7-(1H-pyrazol-4-yl)-N-(2-pyridin-4-ylethyl)quinazolin-4-amine;tris(2,2,2-trifluoroacetic acid)
CID 117077164
2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 117077180
3-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]propan-1-ol;bis(2,2,2-trifluoroacetic acid)
CID 117077181
4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-4-yl]morpholine;2,2,2-trifluoroacetic acid
CID 117078163
tert-butyl 7-[6-ethenyl-7-(5-methyl-1H-indazol-4-yl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 139520830
5-[(2R)-1-[[4-[4-[(5,7-difluoroquinolin-6-yl)amino]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-7-yl]-2-methylpyrazol-2-ium-1-yl]methyl-methylamino]propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-(2-methylquinolin-6-yl)quinazolin-4-amine
CID 165120307
N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine
CID 165120598

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine?
The IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine (CID 90924400) is 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine is COc1ccc2c(c1)CC(c1nc(N(C)Cc3cc(-c4ccc5c(N6CCOCC6)nc(C6COc7ccc(OC)cc7C6)nc5c4)ccn3)c3cc(-c4cn[nH]c4)ccc3n1)CO2.
What is the InChIKey of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine?
The InChIKey is IITUYTJSIGONQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H47N9O5/c1-58(49-42-23-30(37-25-52-53-26-37)5-9-43(42)54-47(56-49)35-18-33-21-39(60-2)6-10-45(33)63-28-35)27-38-20-32(12-13-51-38)31-4-8-41-44(24-31)55-48(57-50(41)59-14-16-62-17-15-59)36-19-34-22-40(61-3)7-11-46(34)64-29-36/h4-13,20-26,35-36H,14-19,27-29H2,1-3H3,(H,52,53).
What are the key properties of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine?
2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine has a molecular weight of 853.98 g/mol, XLogP of 7.95, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 90924400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).