N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine

C15H18N4O2 — CID 64589271

IUPACN-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine
SMILESCCC(CC1CC1)Nc1ncnc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H18N4O2/c1-2-11(7-10-3-4-10)18-15-13-8-12(19(20)21)5-6-14(13)16-9-17-15/h5-6,8-11H,2-4,7H2,1H3,(H,16,17,18)
InChIKeyQVWWCMNFWOTUSM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.53
Rot. Bonds6

About N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine

N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine (PubChem CID 64589271) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine
PubChem CID64589271
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine
SMILESCCC(CC1CC1)Nc1ncnc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H18N4O2/c1-2-11(7-10-3-4-10)18-15-13-8-12(19(20)21)5-6-14(13)16-9-17-15/h5-6,8-11H,2-4,7H2,1H3,(H,16,17,18)
InChIKeyQVWWCMNFWOTUSM-UHFFFAOYSA-N
XLogP3.53
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-(6-nitroquinazolin-4-yl)ethane-1,2-diamine
CID 65188725
6-chloro-N-(1-cyclopropylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 63995169
3-methyl-2-N-(6-nitroquinazolin-4-yl)butane-1,2-diamine
CID 65191719
(2S)-3-methyl-2-[(6-nitroquinazolin-4-yl)amino]butan-1-ol
CID 79247487
3-[(6-nitroquinazolin-4-yl)amino]butanoic acid
CID 64586849
3-[[(6-nitroquinazolin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006571
6-nitro-N-(thiolan-3-ylmethyl)quinazolin-4-amine
CID 107296771
1-cyclopropyl-2-(6-nitroquinazolin-4-yl)ethanamine
CID 64589887
N-(2-methylpiperidin-4-yl)-6-nitroquinazolin-4-amine
CID 106996165
N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine
CID 114695488
N-(4-methylphenyl)-6-nitroquinazolin-4-amine
CID 127027330
2-(hydroxymethyl)-2-[(6-nitroquinazolin-4-yl)amino]propane-1,3-diol
CID 107849416

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine (CID 64589271) is N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine is CCC(CC1CC1)Nc1ncnc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine?
The InChIKey is QVWWCMNFWOTUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-11(7-10-3-4-10)18-15-13-8-12(19(20)21)5-6-14(13)16-9-17-15/h5-6,8-11H,2-4,7H2,1H3,(H,16,17,18).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine?
N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine has a molecular weight of 286.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine is sourced from PubChem (CID 64589271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).