N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide

C27H28N6O2 — CID 163290885

IUPACN-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2ccc3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc3c2)cn1
InChIInChI=1S/C27H28N6O2/c1-4-28-26(34)22-8-7-19(14-29-22)17-5-6-20-15-30-27(31-23(20)11-17)32-24-12-21-16-33(2)10-9-18(21)13-25(24)35-3/h5-8,11-15H,4,9-10,16H2,1-3H3,(H,28,34)(H,30,31,32)
InChIKeyQEPJURZAUJIMMV-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.18
Rot. Bonds6

About N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide

N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide (PubChem CID 163290885) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide
PubChem CID163290885
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC NameN-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2ccc3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc3c2)cn1
InChIInChI=1S/C27H28N6O2/c1-4-28-26(34)22-8-7-19(14-29-22)17-5-6-20-15-30-27(31-23(20)11-17)32-24-12-21-16-33(2)10-9-18(21)13-25(24)35-3/h5-8,11-15H,4,9-10,16H2,1-3H3,(H,28,34)(H,30,31,32)
InChIKeyQEPJURZAUJIMMV-UHFFFAOYSA-N
XLogP4.18
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-Anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 155883039
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108991
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(2-(1-methylpiperidin-4-yloxy)-5-(trifluoromethyl)phenyl)benzamide
CID 16086104
N-methyl-4-[2-(4-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 57394290
2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 91864603
2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444916
2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444920
2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444921
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
2-amino-8-methoxy-N-[(6-propan-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444963
2-amino-N-(quinolin-8-ylmethyl)-8-(trifluoromethoxy)quinazoline-4-carboxamide
CID 122444974

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide (CID 163290885) is N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide is CCNC(=O)c1ccc(-c2ccc3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc3c2)cn1.
What is the InChIKey of N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide?
The InChIKey is QEPJURZAUJIMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-4-28-26(34)22-8-7-19(14-29-22)17-5-6-20-15-30-27(31-23(20)11-17)32-24-12-21-16-33(2)10-9-18(21)13-25(24)35-3/h5-8,11-15H,4,9-10,16H2,1-3H3,(H,28,34)(H,30,31,32).
What are the key properties of N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide?
N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 163290885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).