4-(heptan-2-ylamino)quinazoline-7-carboxylic acid

C16H21N3O2 — CID 63263541

IUPAC4-(heptan-2-ylamino)quinazoline-7-carboxylic acid
SMILESCCCCCC(C)Nc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H21N3O2/c1-3-4-5-6-11(2)19-15-13-8-7-12(16(20)21)9-14(13)17-10-18-15/h7-11H,3-6H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyCBZLUINVYUNHJH-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.71
Rot. Bonds7

About 4-(heptan-2-ylamino)quinazoline-7-carboxylic acid

4-(heptan-2-ylamino)quinazoline-7-carboxylic acid (PubChem CID 63263541) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(heptan-2-ylamino)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(heptan-2-ylamino)quinazoline-7-carboxylic acid
PubChem CID63263541
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(heptan-2-ylamino)quinazoline-7-carboxylic acid
SMILESCCCCCC(C)Nc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H21N3O2/c1-3-4-5-6-11(2)19-15-13-8-7-12(16(20)21)9-14(13)17-10-18-15/h7-11H,3-6H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyCBZLUINVYUNHJH-UHFFFAOYSA-N
XLogP3.71
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
N-heptan-2-ylquinazolin-4-amine
CID 54950682
N-undecan-2-ylquinazolin-4-amine
CID 86111387
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
4-(pent-1-yn-3-ylamino)quinazoline-7-carboxylic acid
CID 106230991
4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid
CID 16641767
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]quinazoline-7-carboxylic acid
CID 106161960
(2R)-2-[(7-carboxyquinazolin-4-yl)amino]butanedioic acid
CID 1414229
4-heptoxyquinazoline-7-carboxylic acid
CID 63461088
5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid
CID 55224530
3-bromo-4-(heptan-2-ylamino)benzoic acid
CID 82800896
3-methyl-4-(nonan-2-ylamino)benzoic acid
CID 43736082

Frequently Asked Questions

What is the IUPAC name of 4-(heptan-2-ylamino)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(heptan-2-ylamino)quinazoline-7-carboxylic acid (CID 63263541) is 4-(heptan-2-ylamino)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(heptan-2-ylamino)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(heptan-2-ylamino)quinazoline-7-carboxylic acid is CCCCCC(C)Nc1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-(heptan-2-ylamino)quinazoline-7-carboxylic acid?
The InChIKey is CBZLUINVYUNHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-4-5-6-11(2)19-15-13-8-7-12(16(20)21)9-14(13)17-10-18-15/h7-11H,3-6H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-(heptan-2-ylamino)quinazoline-7-carboxylic acid?
4-(heptan-2-ylamino)quinazoline-7-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptan-2-ylamino)quinazoline-7-carboxylic acid is sourced from PubChem (CID 63263541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).