7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid

C11H7N3O2 — CID 166756804

IUPAC7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid
SMILESO=C(O)C1=Nc2c(ccc3cncnc23)C1
InChIInChI=1S/C11H7N3O2/c15-11(16)8-3-6-1-2-7-4-12-5-13-9(7)10(6)14-8/h1-2,4-5H,3H2,(H,15,16)
InChIKeyIBGJQJBVEZPKSJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.34
Rot. Bonds1

About 7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid

7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid (PubChem CID 166756804) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid
PubChem CID166756804
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid
SMILESO=C(O)C1=Nc2c(ccc3cncnc23)C1
InChIInChI=1S/C11H7N3O2/c15-11(16)8-3-6-1-2-7-4-12-5-13-9(7)10(6)14-8/h1-2,4-5H,3H2,(H,15,16)
InChIKeyIBGJQJBVEZPKSJ-UHFFFAOYSA-N
XLogP1.34
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-Fluoroquinazolin-4-yl)acetic acid
CID 105458355
2-[7-(Trifluoromethyl)quinazolin-4-yl]acetic acid
CID 105511498
2-[7-(Trifluoromethyl)quinazolin-4-yl]propanoic acid
CID 105518493
3-[7-(Trifluoromethyl)quinazolin-4-yl]propanoic acid
CID 105518494
Quinazoline-4-acetic Acid
CID 20355370
2-(7-Methylquinazolin-4-yl)acetic acid
CID 58828803
2-Quinazolin-8-ylacetic acid
CID 129974629
2-[4-(Carboxymethyl)quinazolin-7-yl]acetic acid
CID 141114843
2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
CID 141335566
3-(1-Octyl-2-propylimidazo[4,5-c]quinolin-7-yl)propanoic acid
CID 143494951
2-Quinazolin-7-ylacetic acid
CID 145403283
Quinazoline;undecanoic acid
CID 158516899

Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid?
The IUPAC name of 7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid (CID 166756804) is 7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid.
What is the SMILES notation for 7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid?
The canonical SMILES for 7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid is O=C(O)C1=Nc2c(ccc3cncnc23)C1.
What is the InChIKey of 7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid?
The InChIKey is IBGJQJBVEZPKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-11(16)8-3-6-1-2-7-4-12-5-13-9(7)10(6)14-8/h1-2,4-5H,3H2,(H,15,16).
What are the key properties of 7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid?
7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid has a molecular weight of 213.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[3,2-h]quinazoline-8-carboxylic acid is sourced from PubChem (CID 166756804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).