7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one

C34H36N6O5 — CID 44537854

IUPAC7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one
SMILESCc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)c2)cccc1N1CNc2cc(C(C)(C)O)ccc2C1=O
InChIInChI=1S/C34H36N6O5/c1-21-25(6-5-7-29(21)40-20-36-27-17-24(34(2,3)44)9-10-26(27)32(40)42)23-16-28(33(43)38(4)19-23)37-30-11-8-22(18-35-30)31(41)39-12-14-45-15-13-39/h5-11,16-19,36,44H,12-15,20H2,1-4H3,(H,35,37)
InChIKeyOMSXEGFXBWUSRM-UHFFFAOYSA-N
MW608.70 g/mol
LogP4.23
Rot. Bonds6

About 7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one

7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 44537854) has the molecular formula C34H36N6O5 and a molecular weight of 608.70 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID44537854
Molecular FormulaC34H36N6O5
Molecular Weight608.70 g/mol
Exact Mass608.27
IUPAC Name7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one
SMILESCc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)c2)cccc1N1CNc2cc(C(C)(C)O)ccc2C1=O
InChIInChI=1S/C34H36N6O5/c1-21-25(6-5-7-29(21)40-20-36-27-17-24(34(2,3)44)9-10-26(27)32(40)42)23-16-28(33(43)38(4)19-23)37-30-11-8-22(18-35-30)31(41)39-12-14-45-15-13-39/h5-11,16-19,36,44H,12-15,20H2,1-4H3,(H,35,37)
InChIKeyOMSXEGFXBWUSRM-UHFFFAOYSA-N
XLogP4.23
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.70
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one (CID 44537854) is 7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one is Cc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)c2)cccc1N1CNc2cc(C(C)(C)O)ccc2C1=O.
What is the InChIKey of 7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is OMSXEGFXBWUSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O5/c1-21-25(6-5-7-29(21)40-20-36-27-17-24(34(2,3)44)9-10-26(27)32(40)42)23-16-28(33(43)38(4)19-23)37-30-11-8-22(18-35-30)31(41)39-12-14-45-15-13-39/h5-11,16-19,36,44H,12-15,20H2,1-4H3,(H,35,37).
What are the key properties of 7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one?
7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 608.70 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropan-2-yl)-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 44537854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).