1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

C20H28N4O — CID 121255061

IUPAC1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCOC/C=C/c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C20H28N4O/c1-24(2)17-9-7-16(8-10-17)23-20-18-13-15(5-4-12-25-3)6-11-19(18)21-14-22-20/h4-6,11,13-14,16-17H,7-10,12H2,1-3H3,(H,21,22,23)/b5-4+
InChIKeySZLPCEFKYABVOG-SNAWJCMRSA-N
MW340.47 g/mol
LogP3.57
Rot. Bonds6

About 1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 121255061) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID121255061
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCOC/C=C/c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C20H28N4O/c1-24(2)17-9-7-16(8-10-17)23-20-18-13-15(5-4-12-25-3)6-11-19(18)21-14-22-20/h4-6,11,13-14,16-17H,7-10,12H2,1-3H3,(H,21,22,23)/b5-4+
InChIKeySZLPCEFKYABVOG-SNAWJCMRSA-N
XLogP3.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine with MolForge

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Related Compounds

(E)-3-[4-(cyclohexylamino)quinazolin-6-yl]prop-2-en-1-ol
CID 144951219
1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 121254771
1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 130463674
1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 147652172
6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 123964283
4-N,4-N-dimethyl-1-N-[6-(5-methylsulfonyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 130446877
4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 130446919
5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]pyridine-3-carboxylic acid
CID 130446833
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 121263781
N-cyclohexyl-6-ethylquinazolin-4-amine
CID 21002570
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide
CID 68945902

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 121255061) is 1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is COC/C=C/c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1.
What is the InChIKey of 1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is SZLPCEFKYABVOG-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H28N4O/c1-24(2)17-9-7-16(8-10-17)23-20-18-13-15(5-4-12-25-3)6-11-19(18)21-14-22-20/h4-6,11,13-14,16-17H,7-10,12H2,1-3H3,(H,21,22,23)/b5-4+.
What are the key properties of 1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 340.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 121255061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).