8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one

C25H29N5O3 — CID 118502901

IUPAC8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@H]2CCOC2)c(=O)n4C)cn1
InChIInChI=1S/C25H29N5O3/c1-28(2)10-4-11-33-23-8-6-18(14-27-23)17-5-7-21-20(13-17)24-22(15-26-21)29(3)25(31)30(24)19-9-12-32-16-19/h5-8,13-15,19H,4,9-12,16H2,1-3H3/t19-/m0/s1
InChIKeyNJZBNLVCEXZHPD-IBGZPJMESA-N
MW447.54 g/mol
LogP3.24
Rot. Bonds7

About 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one

8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one (PubChem CID 118502901) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one
PubChem CID118502901
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@H]2CCOC2)c(=O)n4C)cn1
InChIInChI=1S/C25H29N5O3/c1-28(2)10-4-11-33-23-8-6-18(14-27-23)17-5-7-21-20(13-17)24-22(15-26-21)29(3)25(31)30(24)19-9-12-32-16-19/h5-8,13-15,19H,4,9-12,16H2,1-3H3/t19-/m0/s1
InChIKeyNJZBNLVCEXZHPD-IBGZPJMESA-N
XLogP3.24
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one (CID 118502901) is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one is CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@H]2CCOC2)c(=O)n4C)cn1.
What is the InChIKey of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is NJZBNLVCEXZHPD-IBGZPJMESA-N. The full InChI is InChI=1S/C25H29N5O3/c1-28(2)10-4-11-33-23-8-6-18(14-27-23)17-5-7-21-20(13-17)24-22(15-26-21)29(3)25(31)30(24)19-9-12-32-16-19/h5-8,13-15,19H,4,9-12,16H2,1-3H3/t19-/m0/s1.
What are the key properties of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one?
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 447.54 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118502901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).