2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine

C24H28N4O — CID 91963375

IUPAC2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NCCC2=CCCCC2)nc2ccccc12
InChIInChI=1S/C24H28N4O/c1-29-22-14-8-5-11-19(22)17-26-23-20-12-6-7-13-21(20)27-24(28-23)25-16-15-18-9-3-2-4-10-18/h5-9,11-14H,2-4,10,15-17H2,1H3,(H2,25,26,27,28)
InChIKeyAXRQYZLIIXOTFH-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.55
Rot. Bonds8

About 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine

2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine (PubChem CID 91963375) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
PubChem CID91963375
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NCCC2=CCCCC2)nc2ccccc12
InChIInChI=1S/C24H28N4O/c1-29-22-14-8-5-11-19(22)17-26-23-20-12-6-7-13-21(20)27-24(28-23)25-16-15-18-9-3-2-4-10-18/h5-9,11-14H,2-4,10,15-17H2,1H3,(H2,25,26,27,28)
InChIKeyAXRQYZLIIXOTFH-UHFFFAOYSA-N
XLogP5.55
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963356
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109323394
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885560
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108993813
4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 91963294
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
CID 114156958
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 91963240
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-fluorophenyl)quinazolin-4-amine
CID 3693865
N-[2-(cyclohexen-1-yl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112885578

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine (CID 91963375) is 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine is COc1ccccc1CNc1nc(NCCC2=CCCCC2)nc2ccccc12.
What is the InChIKey of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is AXRQYZLIIXOTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-29-22-14-8-5-11-19(22)17-26-23-20-12-6-7-13-21(20)27-24(28-23)25-16-15-18-9-3-2-4-10-18/h5-9,11-14H,2-4,10,15-17H2,1H3,(H2,25,26,27,28).
What are the key properties of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 388.52 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 91963375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).