8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one

C27H32N6O2 — CID 129104397

IUPAC8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCO[C@H]1CC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(N6CC(N(C)C)C6)nc5)cc4c32)C1
InChIInChI=1S/C27H32N6O2/c1-30(2)20-15-32(16-20)25-10-6-18(13-29-25)17-5-9-23-22(11-17)26-24(14-28-23)31(3)27(34)33(26)19-7-8-21(12-19)35-4/h5-6,9-11,13-14,19-21H,7-8,12,15-16H2,1-4H3/t19-,21-/m0/s1
InChIKeyZGNYIIFLKSBESG-FPOVZHCZSA-N
MW472.59 g/mol
LogP3.44
Rot. Bonds5

About 8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one

8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 129104397) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID129104397
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCO[C@H]1CC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(N6CC(N(C)C)C6)nc5)cc4c32)C1
InChIInChI=1S/C27H32N6O2/c1-30(2)20-15-32(16-20)25-10-6-18(13-29-25)17-5-9-23-22(11-17)26-24(14-28-23)31(3)27(34)33(26)19-7-8-21(12-19)35-4/h5-6,9-11,13-14,19-21H,7-8,12,15-16H2,1-4H3/t19-,21-/m0/s1
InChIKeyZGNYIIFLKSBESG-FPOVZHCZSA-N
XLogP3.44
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 129104397) is 8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one is CO[C@H]1CC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(N6CC(N(C)C)C6)nc5)cc4c32)C1.
What is the InChIKey of 8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is ZGNYIIFLKSBESG-FPOVZHCZSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-30(2)20-15-32(16-20)25-10-6-18(13-29-25)17-5-9-23-22(11-17)26-24(14-28-23)31(3)27(34)33(26)19-7-8-21(12-19)35-4/h5-6,9-11,13-14,19-21H,7-8,12,15-16H2,1-4H3/t19-,21-/m0/s1.
What are the key properties of 8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one?
8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 472.59 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 129104397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).