4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid

C16H21N3O2 — CID 79480343

IUPAC4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid
SMILESCCC(C)CN(CC)c1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H21N3O2/c1-4-11(3)9-19(5-2)15-13-7-6-12(16(20)21)8-14(13)17-10-18-15/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,21)
InChIKeyKWJGLBFOKPQRHD-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.20
Rot. Bonds6

About 4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid

4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid (PubChem CID 79480343) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid
PubChem CID79480343
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid
SMILESCCC(C)CN(CC)c1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H21N3O2/c1-4-11(3)9-19(5-2)15-13-7-6-12(16(20)21)8-14(13)17-10-18-15/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,21)
InChIKeyKWJGLBFOKPQRHD-UHFFFAOYSA-N
XLogP3.20
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(2-methylbutyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116691537
4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid
CID 81055547
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid
CID 79470984
4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid
CID 63263648
3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid
CID 79470438
4-(pent-1-yn-3-ylamino)quinazoline-7-carboxylic acid
CID 106230991
4-(heptan-2-ylamino)quinazoline-7-carboxylic acid
CID 63263541
4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid
CID 16641767
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide
CID 155581978
4-(2-methoxy-2-oxoethyl)sulfanylquinazoline-7-carboxylic acid
CID 63264184
4-(4-hydroxybutan-2-ylsulfanyl)quinazoline-7-carboxylic acid
CID 66104802

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid?
The IUPAC name of 4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid (CID 79480343) is 4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid is CCC(C)CN(CC)c1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid?
The InChIKey is KWJGLBFOKPQRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-11(3)9-19(5-2)15-13-7-6-12(16(20)21)8-14(13)17-10-18-15/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,21).
What are the key properties of 4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid?
4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid is sourced from PubChem (CID 79480343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).