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

C24H24ClN5O3 — CID 118058553

IUPAC3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCCC3CCOC3)c3ccc(Cl)cc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H24ClN5O3/c25-16-1-4-18-19(11-16)27-22(28-23(18)33-10-7-15-6-9-32-14-15)13-29-21-12-26-8-5-20(21)30(24(29)31)17-2-3-17/h1,4-5,8,11-12,15,17H,2-3,6-7,9-10,13-14H2
InChIKeyMJPFJQQCMJAXDC-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.98
Rot. Bonds7

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

3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 118058553) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is 3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID118058553
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC Name3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCCC3CCOC3)c3ccc(Cl)cc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H24ClN5O3/c25-16-1-4-18-19(11-16)27-22(28-23(18)33-10-7-15-6-9-32-14-15)13-29-21-12-26-8-5-20(21)30(24(29)31)17-2-3-17/h1,4-5,8,11-12,15,17H,2-3,6-7,9-10,13-14H2
InChIKeyMJPFJQQCMJAXDC-UHFFFAOYSA-N
XLogP3.98
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 118058553) is 3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc(OCCC3CCOC3)c3ccc(Cl)cc3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is MJPFJQQCMJAXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c25-16-1-4-18-19(11-16)27-22(28-23(18)33-10-7-15-6-9-32-14-15)13-29-21-12-26-8-5-20(21)30(24(29)31)17-2-3-17/h1,4-5,8,11-12,15,17H,2-3,6-7,9-10,13-14H2.
What are the key properties of 3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 465.94 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118058553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).