8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid

C15H15ClN4O2 — CID 87105614

IUPAC8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
SMILESNC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(Cl)nc2-3)CC1
InChIInChI=1S/C15H15ClN4O2/c16-14-18-6-7-1-2-8-10(13(21)22)9(5-15(17)3-4-15)19-12(8)11(7)20-14/h6,19H,1-5,17H2,(H,21,22)
InChIKeyZXKGQNAAAGBDCC-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.96
Rot. Bonds3

About 8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid

8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid (PubChem CID 87105614) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
PubChem CID87105614
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
SMILESNC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(Cl)nc2-3)CC1
InChIInChI=1S/C15H15ClN4O2/c16-14-18-6-7-1-2-8-10(13(21)22)9(5-15(17)3-4-15)19-12(8)11(7)20-14/h6,19H,1-5,17H2,(H,21,22)
InChIKeyZXKGQNAAAGBDCC-UHFFFAOYSA-N
XLogP1.96
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid with MolForge

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Related Compounds

2-[(1-aminocyclopropyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylic acid
CID 66683261
2-[(1-aminocyclobutyl)methyl]-8-(5-methyl-3-pyridinyl)-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylic acid
CID 66683520
2-[(1-aminocyclopropyl)methyl]-8-(6-piperidin-1-yl-3-pyridinyl)-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylic acid
CID 66684540
2-[(1-aminocyclobutyl)methyl]-8-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylic acid
CID 66682913
2-[(1-aminocyclopropyl)methyl]-8-(4-ethoxy-3-fluorophenyl)-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylic acid
CID 66683614
2-[(1-aminocyclopropyl)methyl]-8-[4-methoxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylic acid
CID 66682420
2-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-8-(3-fluorophenyl)-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylic acid
CID 66682592
8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
CID 66682665
8-[1-(3-aminoazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(3-fluorophenyl)-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
CID 66684521
5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid
CID 59558510
8-[3-(1-aminocyclopropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
CID 66683656
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895

Frequently Asked Questions

What is the IUPAC name of 8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid?
The IUPAC name of 8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid (CID 87105614) is 8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid.
What is the SMILES notation for 8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid?
The canonical SMILES for 8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid is NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(Cl)nc2-3)CC1.
What is the InChIKey of 8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid?
The InChIKey is ZXKGQNAAAGBDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-14-18-6-7-1-2-8-10(13(21)22)9(5-15(17)3-4-15)19-12(8)11(7)20-14/h6,19H,1-5,17H2,(H,21,22).
What are the key properties of 8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid?
8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid has a molecular weight of 318.76 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-aminocyclopropyl)methyl]-2-chloro-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid is sourced from PubChem (CID 87105614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).