3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine

C29H35N7 — CID 53317596

IUPAC3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine
SMILESCN(CCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2
InChIInChI=1S/C29H35N7/c1-34(18-8-16-30-28-22-10-2-4-12-24(22)32-26-14-6-20-35(26)28)19-9-17-31-29-23-11-3-5-13-25(23)33-27-15-7-21-36(27)29/h2-5,10-13H,6-9,14-21H2,1H3/b30-28-,31-29-
InChIKeyWFFNREUHEBAURM-BRMDCIMDSA-N
MW481.65 g/mol
LogP3.49
Rot. Bonds8

About 3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine

3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine (PubChem CID 53317596) has the molecular formula C29H35N7 and a molecular weight of 481.65 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine
PubChem CID53317596
Molecular FormulaC29H35N7
Molecular Weight481.65 g/mol
Exact Mass481.30
IUPAC Name3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine
SMILESCN(CCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2
InChIInChI=1S/C29H35N7/c1-34(18-8-16-30-28-22-10-2-4-12-24(22)32-26-14-6-20-35(26)28)19-9-17-31-29-23-11-3-5-13-25(23)33-27-15-7-21-36(27)29/h2-5,10-13H,6-9,14-21H2,1H3/b30-28-,31-29-
InChIKeyWFFNREUHEBAURM-BRMDCIMDSA-N
XLogP3.49
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine with MolForge

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Related Compounds

Deoxypeganine
CID 442894
1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline hydrochloride
CID 3046290
2,3-dihydropyrrolo(2,1-b)quinazolin-9(1H)-imine
CID 21094663
5-Phenyl-2,3-dihydroimidazo[1,2-c]quinazoline
CID 15620519
3-[1-(2-Iodo-phenyl)-meth-(E)-ylidene]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-(9Z)-ylideneamine
CID 44391170
3-[1-(2-Ethyl-phenyl)-meth-(E)-ylidene]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-(9Z)-ylideneamine
CID 44391192
(3E)-3-[(2-bromophenyl)methylidene]-N-methyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine
CID 44391213
6-phenyl-3,4-dihydro-2H-pyrimido[1,2-c]quinazoline
CID 403513
N-[8-(6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-ylideneamino)octyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
CID 16082577
N-[8-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylideneamino)octyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
CID 16082578
(N1Z,N8Z)-N1,N8-bis(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylidene)octane-1,8-diamine
CID 16082579
N,N''-bis[2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene]heptane-1,7-diamine
CID 16082583

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine (CID 53317596) is 3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine is CN(CCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine?
The InChIKey is WFFNREUHEBAURM-BRMDCIMDSA-N. The full InChI is InChI=1S/C29H35N7/c1-34(18-8-16-30-28-22-10-2-4-12-24(22)32-26-14-6-20-35(26)28)19-9-17-31-29-23-11-3-5-13-25(23)33-27-15-7-21-36(27)29/h2-5,10-13H,6-9,14-21H2,1H3/b30-28-,31-29-.
What are the key properties of 3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine?
3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine has a molecular weight of 481.65 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylpropan-1-amine is sourced from PubChem (CID 53317596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).