4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

C27H31BrN4 — CID 121402541

IUPAC4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(-c2ccc3ccccc3c2)nc2c(Br)cccc12
InChIInChI=1S/C27H31BrN4/c1-4-32(5-2)17-9-10-19(3)29-27-23-13-8-14-24(28)25(23)30-26(31-27)22-16-15-20-11-6-7-12-21(20)18-22/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,29,30,31)
InChIKeySOJPZJLXYDDKSF-UHFFFAOYSA-N
MW491.48 g/mol
LogP7.13
Rot. Bonds9

About 4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 121402541) has the molecular formula C27H31BrN4 and a molecular weight of 491.48 g/mol. Its IUPAC name is 4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID121402541
Molecular FormulaC27H31BrN4
Molecular Weight491.48 g/mol
Exact Mass490.17
IUPAC Name4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(-c2ccc3ccccc3c2)nc2c(Br)cccc12
InChIInChI=1S/C27H31BrN4/c1-4-32(5-2)17-9-10-19(3)29-27-23-13-8-14-24(28)25(23)30-26(31-27)22-16-15-20-11-6-7-12-21(20)18-22/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,29,30,31)
InChIKeySOJPZJLXYDDKSF-UHFFFAOYSA-N
XLogP7.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.48
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine with MolForge

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Related Compounds

4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 121402587
1-N,1-N-diethyl-4-N-(2-phenylquinazolin-4-yl)pentane-1,4-diamine;phosphoric acid
CID 131880768
(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
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
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
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 79532522
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281
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-[3-(3,5-dichlorophenyl)phenyl]-8-methylquinazolin-4-yl]-1-N-ethylpentane-1,4-diamine
CID 145099318

Frequently Asked Questions

What is the IUPAC name of 4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 121402541) is 4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nc(-c2ccc3ccccc3c2)nc2c(Br)cccc12.
What is the InChIKey of 4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is SOJPZJLXYDDKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31BrN4/c1-4-32(5-2)17-9-10-19(3)29-27-23-13-8-14-24(28)25(23)30-26(31-27)22-16-15-20-11-6-7-12-21(20)18-22/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,29,30,31).
What are the key properties of 4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 491.48 g/mol, XLogP of 7.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(8-bromo-2-naphthalen-2-ylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 121402541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).