N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine

C24H23N5 — CID 69239625

IUPACN-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine
SMILESCc1ccc2nc(/C=C/c3ccccn3)nc(NCc3ccc(CN)cc3)c2c1
InChIInChI=1S/C24H23N5/c1-17-5-11-22-21(14-17)24(27-16-19-8-6-18(15-25)7-9-19)29-23(28-22)12-10-20-4-2-3-13-26-20/h2-14H,15-16,25H2,1H3,(H,27,28,29)/b12-10+
InChIKeyXRABJGKBPAZZSZ-ZRDIBKRKSA-N
MW381.48 g/mol
LogP4.57
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine

N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine (PubChem CID 69239625) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine
PubChem CID69239625
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine
SMILESCc1ccc2nc(/C=C/c3ccccn3)nc(NCc3ccc(CN)cc3)c2c1
InChIInChI=1S/C24H23N5/c1-17-5-11-22-21(14-17)24(27-16-19-8-6-18(15-25)7-9-19)29-23(28-22)12-10-20-4-2-3-13-26-20/h2-14H,15-16,25H2,1H3,(H,27,28,29)/b12-10+
InChIKeyXRABJGKBPAZZSZ-ZRDIBKRKSA-N
XLogP4.57
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine
CID 69021828
4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69239806
(1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69241485
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
methyl N'-[6-[[6-methoxy-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]hexyl]-N-phenylcarbamimidothioate
CID 69086474
5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734155
N',N'-dimethyl-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[2-[(E)-2-(4-methylphenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine;N-methyl-N'-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]ethane-1,2-diamine;N-methyl-N'-[2-[(E)-2-(4-methylphenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine;N'-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]ethane-1,2-diamine;N'-[2-[(E)-2-(4-methylphenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine
CID 158417523
N-benzyl-2,6-dimethylquinolin-4-amine
CID 719873
N-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-4-amine
CID 68681353
5-[[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]amino]pentan-2-one
CID 159004026
2-ethenylpyridine;phenylmethanamine;hydrobromide
CID 175228266
2-[4-[[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]amino]butyl]guanidine
CID 69022104

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine (CID 69239625) is N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine is Cc1ccc2nc(/C=C/c3ccccn3)nc(NCc3ccc(CN)cc3)c2c1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine?
The InChIKey is XRABJGKBPAZZSZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C24H23N5/c1-17-5-11-22-21(14-17)24(27-16-19-8-6-18(15-25)7-9-19)29-23(28-22)12-10-20-4-2-3-13-26-20/h2-14H,15-16,25H2,1H3,(H,27,28,29)/b12-10+.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine?
N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine has a molecular weight of 381.48 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine is sourced from PubChem (CID 69239625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).