3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one

C24H24ClN5O4 — CID 118058576

IUPAC3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3ccc(Cl)cc3n2)c2cnccc2n1[C@@H]1CCOC1
InChIInChI=1S/C24H24ClN5O4/c25-16-1-2-18-19(9-16)27-22(28-23(18)34-13-15-4-7-32-12-15)11-29-21-10-26-6-3-20(21)30(24(29)31)17-5-8-33-14-17/h1-3,6,9-10,15,17H,4-5,7-8,11-14H2/t15?,17-/m1/s1
InChIKeyZFVOIUFDOZSBDT-OMOCHNIRSA-N
MW481.94 g/mol
LogP3.22
Rot. Bonds6

About 3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one

3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one (PubChem CID 118058576) has the molecular formula C24H24ClN5O4 and a molecular weight of 481.94 g/mol. Its IUPAC name is 3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one
PubChem CID118058576
Molecular FormulaC24H24ClN5O4
Molecular Weight481.94 g/mol
Exact Mass481.15
IUPAC Name3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3ccc(Cl)cc3n2)c2cnccc2n1[C@@H]1CCOC1
InChIInChI=1S/C24H24ClN5O4/c25-16-1-2-18-19(9-16)27-22(28-23(18)34-13-15-4-7-32-12-15)11-29-21-10-26-6-3-20(21)30(24(29)31)17-5-8-33-14-17/h1-3,6,9-10,15,17H,4-5,7-8,11-14H2/t15?,17-/m1/s1
InChIKeyZFVOIUFDOZSBDT-OMOCHNIRSA-N
XLogP3.22
TPSA93.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one (CID 118058576) is 3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc(OCC3CCOC3)c3ccc(Cl)cc3n2)c2cnccc2n1[C@@H]1CCOC1.
What is the InChIKey of 3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is ZFVOIUFDOZSBDT-OMOCHNIRSA-N. The full InChI is InChI=1S/C24H24ClN5O4/c25-16-1-2-18-19(9-16)27-22(28-23(18)34-13-15-4-7-32-12-15)11-29-21-10-26-6-3-20(21)30(24(29)31)17-5-8-33-14-17/h1-3,6,9-10,15,17H,4-5,7-8,11-14H2/t15?,17-/m1/s1.
What are the key properties of 3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one?
3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 481.94 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118058576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).