1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

C24H25N5O4S — CID 145365340

IUPAC1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3c2)n(C2CC2)c(=O)n4C)cc1NS1(C2CC2)OCO1
InChIInChI=1S/C24H25N5O4S/c1-28-21-12-25-19-8-3-14(9-18(19)22(21)29(24(28)30)16-4-5-16)15-10-20(23(31-2)26-11-15)27-34(17-6-7-17)32-13-33-34/h3,8-12,16-17,27H,4-7,13H2,1-2H3
InChIKeyCNCFUNSOCNXZCC-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.42
Rot. Bonds6

About 1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 145365340) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID145365340
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3c2)n(C2CC2)c(=O)n4C)cc1NS1(C2CC2)OCO1
InChIInChI=1S/C24H25N5O4S/c1-28-21-12-25-19-8-3-14(9-18(19)22(21)29(24(28)30)16-4-5-16)15-10-20(23(31-2)26-11-15)27-34(17-6-7-17)32-13-33-34/h3,8-12,16-17,27H,4-7,13H2,1-2H3
InChIKeyCNCFUNSOCNXZCC-UHFFFAOYSA-N
XLogP4.42
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 145365340) is 1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is COc1ncc(-c2ccc3ncc4c(c3c2)n(C2CC2)c(=O)n4C)cc1NS1(C2CC2)OCO1.
What is the InChIKey of 1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is CNCFUNSOCNXZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-28-21-12-25-19-8-3-14(9-18(19)22(21)29(24(28)30)16-4-5-16)15-10-20(23(31-2)26-11-15)27-34(17-6-7-17)32-13-33-34/h3,8-12,16-17,27H,4-7,13H2,1-2H3.
What are the key properties of 1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 479.56 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 145365340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).