4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate

C17H15N4O2- — CID 6984815

IUPAC4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate
SMILESCN(CCc1ccncc1)c1ncnc2cc(C(=O)[O-])ccc12
InChIInChI=1S/C17H16N4O2/c1-21(9-6-12-4-7-18-8-5-12)16-14-3-2-13(17(22)23)10-15(14)19-11-20-16/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,23)/p-1
InChIKeyLGTZAZLWUUPWLK-UHFFFAOYSA-M
MW307.33 g/mol
LogP1.07
Rot. Bonds5

About 4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate

4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate (PubChem CID 6984815) has the molecular formula C17H15N4O2- and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate.

Molecular Properties

Compound Name4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate
PubChem CID6984815
Molecular FormulaC17H15N4O2-
Molecular Weight307.33 g/mol
Exact Mass307.12
IUPAC Name4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate
SMILESCN(CCc1ccncc1)c1ncnc2cc(C(=O)[O-])ccc12
InChIInChI=1S/C17H16N4O2/c1-21(9-6-12-4-7-18-8-5-12)16-14-3-2-13(17(22)23)10-15(14)19-11-20-16/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,23)/p-1
InChIKeyLGTZAZLWUUPWLK-UHFFFAOYSA-M
XLogP1.07
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 112507739
4-[2-[methyl(quinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 56840778
8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 110433410
4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid
CID 81055547
6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine
CID 63023072
3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide
CID 106914151
6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171702605
1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea
CID 59268644
4-acetyl-2-[methyl(2-pyridin-4-ylethyl)amino]benzonitrile
CID 133442936
3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 82537728
4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid
CID 114214476
5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
CID 80503008

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate?
The IUPAC name of 4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate (CID 6984815) is 4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate.
What is the SMILES notation for 4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate?
The canonical SMILES for 4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate is CN(CCc1ccncc1)c1ncnc2cc(C(=O)[O-])ccc12.
What is the InChIKey of 4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate?
The InChIKey is LGTZAZLWUUPWLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16N4O2/c1-21(9-6-12-4-7-18-8-5-12)16-14-3-2-13(17(22)23)10-15(14)19-11-20-16/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,23)/p-1.
What are the key properties of 4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate?
4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate has a molecular weight of 307.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate is sourced from PubChem (CID 6984815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).