2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine

C25H23ClN4 — CID 16749860

IUPAC2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine
SMILESClc1ccc(CNc2nc(NC3CCCc4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C25H23ClN4/c26-19-14-12-17(13-15-19)16-27-25-29-23-10-4-3-9-21(23)24(30-25)28-22-11-5-7-18-6-1-2-8-20(18)22/h1-4,6,8-10,12-15,22H,5,7,11,16H2,(H2,27,28,29,30)
InChIKeyVFOAWDUSHZKVRP-UHFFFAOYSA-N
MW414.94 g/mol
LogP6.38
Rot. Bonds5

About 2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine

2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine (PubChem CID 16749860) has the molecular formula C25H23ClN4 and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine
PubChem CID16749860
Molecular FormulaC25H23ClN4
Molecular Weight414.94 g/mol
Exact Mass414.16
IUPAC Name2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine
SMILESClc1ccc(CNc2nc(NC3CCCc4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C25H23ClN4/c26-19-14-12-17(13-15-19)16-27-25-29-23-10-4-3-9-21(23)24(30-25)28-22-11-5-7-18-6-1-2-8-20(18)22/h1-4,6,8-10,12-15,22H,5,7,11,16H2,(H2,27,28,29,30)
InChIKeyVFOAWDUSHZKVRP-UHFFFAOYSA-N
XLogP6.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.94
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine with MolForge

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Related Compounds

N-[3-[[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinazolin-2-yl]amino]phenyl]acetamide
CID 175678392
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
[2-[2-[[[4-(2,3-dihydro-1H-inden-1-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methyl hypofluorite
CID 143506497
6-chloro-4,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 63271648
[2-[6-[[[4-(2,3-dihydro-1H-inden-1-ylamino)quinazolin-2-yl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-yl]sulfanylphenyl]methanol
CID 143506487
2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963512
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 60674920
N-(5-chloro-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43438379
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
3-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62734178
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile
CID 75792227

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine (CID 16749860) is 2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine is Clc1ccc(CNc2nc(NC3CCCc4ccccc43)c3ccccc3n2)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine?
The InChIKey is VFOAWDUSHZKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4/c26-19-14-12-17(13-15-19)16-27-25-29-23-10-4-3-9-21(23)24(30-25)28-22-11-5-7-18-6-1-2-8-20(18)22/h1-4,6,8-10,12-15,22H,5,7,11,16H2,(H2,27,28,29,30).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine?
2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine has a molecular weight of 414.94 g/mol, XLogP of 6.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 16749860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).