1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C30H32N6O3 — CID 123705792

IUPAC1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC1C=NC(c2ccc3nc(Cn4c(=O)n(C5CC5)c5ccncc54)nc(OCC4CCOC4)c3c2)=CCC1
InChIInChI=1S/C30H32N6O3/c1-19-3-2-4-24(32-14-19)21-5-8-25-23(13-21)29(39-18-20-10-12-38-17-20)34-28(33-25)16-35-27-15-31-11-9-26(27)36(30(35)37)22-6-7-22/h4-5,8-9,11,13-15,19-20,22H,2-3,6-7,10,12,16-18H2,1H3
InChIKeyDSJBIFBMGUOXOA-UHFFFAOYSA-N
MW524.63 g/mol
LogP4.78
Rot. Bonds7

About 1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 123705792) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID123705792
Molecular FormulaC30H32N6O3
Molecular Weight524.63 g/mol
Exact Mass524.25
IUPAC Name1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC1C=NC(c2ccc3nc(Cn4c(=O)n(C5CC5)c5ccncc54)nc(OCC4CCOC4)c3c2)=CCC1
InChIInChI=1S/C30H32N6O3/c1-19-3-2-4-24(32-14-19)21-5-8-25-23(13-21)29(39-18-20-10-12-38-17-20)34-28(33-25)16-35-27-15-31-11-9-26(27)36(30(35)37)22-6-7-22/h4-5,8-9,11,13-15,19-20,22H,2-3,6-7,10,12,16-18H2,1H3
InChIKeyDSJBIFBMGUOXOA-UHFFFAOYSA-N
XLogP4.78
TPSA96.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.63
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one with MolForge

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Related Compounds

Azd-0156
CID 118502708
Azd-1390
CID 126689157
8-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118498683
1-(3-Methoxycyclobutyl)-3-methyl-8-[6-[3-(methylamino)propoxy]-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118498727
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 118498935
8-[6-(3-Dimethylaminopropoxy)pyridin-3-yl]-1-(cis-3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 118499887
8-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-1-(3-hydroxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 118500050
1-(3-Methoxycyclobutyl)-3-methyl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118500097
8-[6-[3-(Dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 118500108
1-(3-Methoxycyclobutyl)-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118502895
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 118502919
8-[6-[3-(Azetidin-1-yl)propoxy]-3-pyridinyl]-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 118523357

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 123705792) is 1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is CC1C=NC(c2ccc3nc(Cn4c(=O)n(C5CC5)c5ccncc54)nc(OCC4CCOC4)c3c2)=CCC1.
What is the InChIKey of 1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is DSJBIFBMGUOXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-19-3-2-4-24(32-14-19)21-5-8-25-23(13-21)29(39-18-20-10-12-38-17-20)34-28(33-25)16-35-27-15-31-11-9-26(27)36(30(35)37)22-6-7-22/h4-5,8-9,11,13-15,19-20,22H,2-3,6-7,10,12,16-18H2,1H3.
What are the key properties of 1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 524.63 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[6-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 123705792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).