4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid

C16H21N3O2 — CID 62405684

IUPAC4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid
SMILESCC(C)CCC(C)Nc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-10(2)8-9-11(3)17-14-12-6-4-5-7-13(12)18-15(19-14)16(20)21/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyJQPQVIYVVXAZHA-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.56
Rot. Bonds6

About 4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid

4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid (PubChem CID 62405684) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid
PubChem CID62405684
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid
SMILESCC(C)CCC(C)Nc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-10(2)8-9-11(3)17-14-12-6-4-5-7-13(12)18-15(19-14)16(20)21/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyJQPQVIYVVXAZHA-UHFFFAOYSA-N
XLogP3.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485
4-(methylamino)quinazoline-2-carboxylic acid
CID 63867097
4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid
CID 63868698
4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid
CID 83016198
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
CID 83179969
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid
CID 104762210
4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide
CID 93059176
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid?
The IUPAC name of 4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid (CID 62405684) is 4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid is CC(C)CCC(C)Nc1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid?
The InChIKey is JQPQVIYVVXAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)8-9-11(3)17-14-12-6-4-5-7-13(12)18-15(19-14)16(20)21/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid?
4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid is sourced from PubChem (CID 62405684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).