N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine

C21H19ClN4 — CID 69325117

IUPACN-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine
SMILESCc1cccc(C2=NC(Cl)(NCc3ccccc3)c3ccccc3N2)n1
InChIInChI=1S/C21H19ClN4/c1-15-8-7-13-19(24-15)20-25-18-12-6-5-11-17(18)21(22,26-20)23-14-16-9-3-2-4-10-16/h2-13,23H,14H2,1H3,(H,25,26)
InChIKeyYLNMPVYYVMARRL-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.40
Rot. Bonds4

About N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine

N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine (PubChem CID 69325117) has the molecular formula C21H19ClN4 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine
PubChem CID69325117
Molecular FormulaC21H19ClN4
Molecular Weight362.86 g/mol
Exact Mass362.13
IUPAC NameN-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine
SMILESCc1cccc(C2=NC(Cl)(NCc3ccccc3)c3ccccc3N2)n1
InChIInChI=1S/C21H19ClN4/c1-15-8-7-13-19(24-15)20-25-18-12-6-5-11-17(18)21(22,26-20)23-14-16-9-3-2-4-10-16/h2-13,23H,14H2,1H3,(H,25,26)
InChIKeyYLNMPVYYVMARRL-UHFFFAOYSA-N
XLogP4.40
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 697231
2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 132578412
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine
CID 697235
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline
CID 22493356
N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine
CID 127044048
2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 932064
4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 21130318
N'-[2-[4-(3-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine
CID 127044050
3-methyl-N-[[6-[(3-methylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 134133043
BU 224 hydrochloride
CID 11957470
Guanidine, N-cyclohexyl-N'-(2-methyl-4-quinolinyl)-
CID 3055144
2-methyl-N-[[6-[(2-methylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 21130320

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine?
The IUPAC name of N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine (CID 69325117) is N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine.
What is the SMILES notation for N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine?
The canonical SMILES for N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine is Cc1cccc(C2=NC(Cl)(NCc3ccccc3)c3ccccc3N2)n1.
What is the InChIKey of N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine?
The InChIKey is YLNMPVYYVMARRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4/c1-15-8-7-13-19(24-15)20-25-18-12-6-5-11-17(18)21(22,26-20)23-14-16-9-3-2-4-10-16/h2-13,23H,14H2,1H3,(H,25,26).
What are the key properties of N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine?
N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine has a molecular weight of 362.86 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-2-(6-methyl-2-pyridinyl)-1H-quinazolin-4-amine is sourced from PubChem (CID 69325117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).