3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine

C19H19ClN6O — CID 158909572

IUPAC3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CN[C@H]3CCOC3)c(Cl)c12
InChIInChI=1S/C19H19ClN6O/c20-17-15(8-22-11-4-6-27-9-11)24-18-12-2-1-10(13-3-5-23-26-13)7-14(12)25-19(21)16(17)18/h1-3,5,7,11,22,24H,4,6,8-9H2,(H2,21,25)(H,23,26)/t11-/m0/s1
InChIKeyJGLXLIVUSLYDFC-NSHDSACASA-N
MW382.86 g/mol
LogP3.22
Rot. Bonds4

About 3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine

3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine (PubChem CID 158909572) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine.

Molecular Properties

Compound Name3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
PubChem CID158909572
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CN[C@H]3CCOC3)c(Cl)c12
InChIInChI=1S/C19H19ClN6O/c20-17-15(8-22-11-4-6-27-9-11)24-18-12-2-1-10(13-3-5-23-26-13)7-14(12)25-19(21)16(17)18/h1-3,5,7,11,22,24H,4,6,8-9H2,(H2,21,25)(H,23,26)/t11-/m0/s1
InChIKeyJGLXLIVUSLYDFC-NSHDSACASA-N
XLogP3.22
TPSA104.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine with MolForge

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Related Compounds

US10729680, Example 45
CID 130228608
US10844067, Example 12
CID 137254461
US10844067, Example 86
CID 137254466
2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
CID 146724594
2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
CID 149295913
7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine
CID 153167633
5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649275
5-fluoro-4-N-[(3S)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 154997785
5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 154997786
8-fluoro-2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 157074710
2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
CID 157915939
2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 159109434

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The IUPAC name of 3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine (CID 158909572) is 3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine.
What is the SMILES notation for 3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The canonical SMILES for 3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CN[C@H]3CCOC3)c(Cl)c12.
What is the InChIKey of 3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The InChIKey is JGLXLIVUSLYDFC-NSHDSACASA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-17-15(8-22-11-4-6-27-9-11)24-18-12-2-1-10(13-3-5-23-26-13)7-14(12)25-19(21)16(17)18/h1-3,5,7,11,22,24H,4,6,8-9H2,(H2,21,25)(H,23,26)/t11-/m0/s1.
What are the key properties of 3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine has a molecular weight of 382.86 g/mol, XLogP of 3.22, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[[(3S)-oxolan-3-yl]amino]methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine is sourced from PubChem (CID 158909572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).