4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride

C15H13ClN4O2 — CID 20982511

IUPAC4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2ncnc(NCc3cccnc3)c12
InChIInChI=1S/C15H12N4O2.ClH/c20-15(21)11-4-1-5-12-13(11)14(19-9-18-12)17-8-10-3-2-6-16-7-10;/h1-7,9H,8H2,(H,20,21)(H,17,18,19);1H
InChIKeyKQFDHIOOAQMADY-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.76
Rot. Bonds4

About 4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride

4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride (PubChem CID 20982511) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride
PubChem CID20982511
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2ncnc(NCc3cccnc3)c12
InChIInChI=1S/C15H12N4O2.ClH/c20-15(21)11-4-1-5-12-13(11)14(19-9-18-12)17-8-10-3-2-6-16-7-10;/h1-7,9H,8H2,(H,20,21)(H,17,18,19);1H
InChIKeyKQFDHIOOAQMADY-UHFFFAOYSA-N
XLogP2.76
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-3-ylmethylamino)benzoic acid;dihydrochloride
CID 17059960
4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate
CID 6984765
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
CID 110436040
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 20982491
2-chloro-4-(pyridin-3-ylmethylamino)benzoic acid
CID 16767368
N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22542842
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride
CID 82253292
6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 102078238
3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid
CID 115932984

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride?
The IUPAC name of 4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride (CID 20982511) is 4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccc2ncnc(NCc3cccnc3)c12.
What is the InChIKey of 4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride?
The InChIKey is KQFDHIOOAQMADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2.ClH/c20-15(21)11-4-1-5-12-13(11)14(19-9-18-12)17-8-10-3-2-6-16-7-10;/h1-7,9H,8H2,(H,20,21)(H,17,18,19);1H.
What are the key properties of 4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride?
4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride has a molecular weight of 316.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 20982511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).