6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one

C14H20N4O — CID 136808665

IUPAC6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one
SMILESCCCN(c1nc2ccc(N)cc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C14H20N4O/c1-4-7-18(9(2)3)14-16-12-6-5-10(15)8-11(12)13(19)17-14/h5-6,8-9H,4,7,15H2,1-3H3,(H,16,17,19)
InChIKeyBXCSNVHGXREFBZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.13
Rot. Bonds4

About 6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one

6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one (PubChem CID 136808665) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one
PubChem CID136808665
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one
SMILESCCCN(c1nc2ccc(N)cc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C14H20N4O/c1-4-7-18(9(2)3)14-16-12-6-5-10(15)8-11(12)13(19)17-14/h5-6,8-9H,4,7,15H2,1-3H3,(H,16,17,19)
InChIKeyBXCSNVHGXREFBZ-UHFFFAOYSA-N
XLogP2.13
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one (CID 136808665) is 6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one is CCCN(c1nc2ccc(N)cc2c(=O)[nH]1)C(C)C.
What is the InChIKey of 6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one?
The InChIKey is BXCSNVHGXREFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-7-18(9(2)3)14-16-12-6-5-10(15)8-11(12)13(19)17-14/h5-6,8-9H,4,7,15H2,1-3H3,(H,16,17,19).
What are the key properties of 6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one?
6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136808665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).