N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine

C17H21N5 — CID 156820936

IUPACN',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine
SMILESCN(C)CCCNc1nc(-c2cc[nH]c2)nc2ccccc12
InChIInChI=1S/C17H21N5/c1-22(2)11-5-9-19-17-14-6-3-4-7-15(14)20-16(21-17)13-8-10-18-12-13/h3-4,6-8,10,12,18H,5,9,11H2,1-2H3,(H,19,20,21)
InChIKeyONXNWTUQZBZNQQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.99
Rot. Bonds6

About N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine (PubChem CID 156820936) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine
PubChem CID156820936
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine
SMILESCN(C)CCCNc1nc(-c2cc[nH]c2)nc2ccccc12
InChIInChI=1S/C17H21N5/c1-22(2)11-5-9-19-17-14-6-3-4-7-15(14)20-16(21-17)13-8-10-18-12-13/h3-4,6-8,10,12,18H,5,9,11H2,1-2H3,(H,19,20,21)
InChIKeyONXNWTUQZBZNQQ-UHFFFAOYSA-N
XLogP2.99
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride
CID 69071537
N',N'-dimethyl-N-[2-(5-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride
CID 69072865
N-[2-(5-bromo-1-benzofuran-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24871817
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
CID 58796990
N',N'-diethyl-N-[2-(4-nitrophenyl)quinazolin-4-yl]propane-1,3-diamine;hydrochloride
CID 2792715
N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24873212
4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 170672708

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine (CID 156820936) is N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine is CN(C)CCCNc1nc(-c2cc[nH]c2)nc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine?
The InChIKey is ONXNWTUQZBZNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-22(2)11-5-9-19-17-14-6-3-4-7-15(14)20-16(21-17)13-8-10-18-12-13/h3-4,6-8,10,12,18H,5,9,11H2,1-2H3,(H,19,20,21).
What are the key properties of N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 295.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 156820936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).