4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

C23H29ClN4 — CID 121402587

IUPAC4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(-c2ccccc2)nc2c(Cl)cccc12
InChIInChI=1S/C23H29ClN4/c1-4-28(5-2)16-10-11-17(3)25-23-19-14-9-15-20(24)21(19)26-22(27-23)18-12-7-6-8-13-18/h6-9,12-15,17H,4-5,10-11,16H2,1-3H3,(H,25,26,27)
InChIKeyUJQMXZFTSGZUKD-UHFFFAOYSA-N
MW396.97 g/mol
LogP5.87
Rot. Bonds9

About 4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 121402587) has the molecular formula C23H29ClN4 and a molecular weight of 396.97 g/mol. Its IUPAC name is 4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID121402587
Molecular FormulaC23H29ClN4
Molecular Weight396.97 g/mol
Exact Mass396.21
IUPAC Name4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(-c2ccccc2)nc2c(Cl)cccc12
InChIInChI=1S/C23H29ClN4/c1-4-28(5-2)16-10-11-17(3)25-23-19-14-9-15-20(24)21(19)26-22(27-23)18-12-7-6-8-13-18/h6-9,12-15,17H,4-5,10-11,16H2,1-3H3,(H,25,26,27)
InChIKeyUJQMXZFTSGZUKD-UHFFFAOYSA-N
XLogP5.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.97
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-diethyl-4-N-(2-phenylquinazolin-4-yl)pentane-1,4-diamine;phosphoric acid
CID 131880768
4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 121402541
4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 121402492
4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-pyridin-4-ylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 121402727
4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 68861292
4-N-[8-chloro-2-[(E)-2-(3,4-dibromophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 17386273
(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
4-N-[2-[4-chloro-3-[(3-methylphenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 121402742
4-N-(2-chloro-4-methylbenzo[c][2,7]naphthyridin-5-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 15946061
4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 23422070
4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 14668185
4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79633492

Frequently Asked Questions

What is the IUPAC name of 4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 121402587) is 4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nc(-c2ccccc2)nc2c(Cl)cccc12.
What is the InChIKey of 4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is UJQMXZFTSGZUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4/c1-4-28(5-2)16-10-11-17(3)25-23-19-14-9-15-20(24)21(19)26-22(27-23)18-12-7-6-8-13-18/h6-9,12-15,17H,4-5,10-11,16H2,1-3H3,(H,25,26,27).
What are the key properties of 4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 396.97 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 121402587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).