(4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine

C17H25BrN4 — CID 129385047

IUPAC(4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@H](C)Nc1ncc2cc(Br)ccc2n1
InChIInChI=1S/C17H25BrN4/c1-4-22(5-2)10-6-7-13(3)20-17-19-12-14-11-15(18)8-9-16(14)21-17/h8-9,11-13H,4-7,10H2,1-3H3,(H,19,20,21)/t13-/m0/s1
InChIKeyLNTFPKIPUHGRQD-ZDUSSCGKSA-N
MW365.32 g/mol
LogP4.31
Rot. Bonds8

About (4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine

(4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 129385047) has the molecular formula C17H25BrN4 and a molecular weight of 365.32 g/mol. Its IUPAC name is (4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name(4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID129385047
Molecular FormulaC17H25BrN4
Molecular Weight365.32 g/mol
Exact Mass364.13
IUPAC Name(4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@H](C)Nc1ncc2cc(Br)ccc2n1
InChIInChI=1S/C17H25BrN4/c1-4-22(5-2)10-6-7-13(3)20-17-19-12-14-11-15(18)8-9-16(14)21-17/h8-9,11-13H,4-7,10H2,1-3H3,(H,19,20,21)/t13-/m0/s1
InChIKeyLNTFPKIPUHGRQD-ZDUSSCGKSA-N
XLogP4.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromo-2-nitrophenyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43082229
4-N-(7-bromoquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
CID 21150567
5-bromo-2-[5-(diethylamino)pentan-2-ylamino]benzoic acid
CID 114895437
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
CID 60732509
4-N-(4,6-dimethoxypyrimidin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 115354932
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 79532522
4-N-(3-bromo-5-nitro-2-pyridinyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79530972
(4S)-4-N-[2-[(E)-2-(2,4-dibromophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 97292430
1-N,1-N-diethyl-4-N-[6-nitro-2-[(E)-2-(2,4,6-tribromophenyl)ethenyl]quinazolin-4-yl]pentane-1,4-diamine;hydrochloride
CID 45043343
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
CID 43095595
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 43115432
4-N-(4-bromo-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79400219

Frequently Asked Questions

What is the IUPAC name of (4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of (4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 129385047) is (4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for (4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for (4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCC[C@H](C)Nc1ncc2cc(Br)ccc2n1.
What is the InChIKey of (4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is LNTFPKIPUHGRQD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25BrN4/c1-4-22(5-2)10-6-7-13(3)20-17-19-12-14-11-15(18)8-9-16(14)21-17/h8-9,11-13H,4-7,10H2,1-3H3,(H,19,20,21)/t13-/m0/s1.
What are the key properties of (4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
(4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 365.32 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 129385047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).