N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine

C18H17N3 — CID 53318876

IUPACN-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine
SMILESc1ccc(C/N=c2/c3ccccc3nc3n2CCC3)cc1
InChIInChI=1S/C18H17N3/c1-2-7-14(8-3-1)13-19-18-15-9-4-5-10-16(15)20-17-11-6-12-21(17)18/h1-5,7-10H,6,11-13H2/b19-18-
InChIKeyPDHVHMZUUOWWAP-HNENSFHCSA-N
MW275.36 g/mol
LogP3.08
Rot. Bonds2

About N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine

N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine (PubChem CID 53318876) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine.

Molecular Properties

Compound NameN-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine
PubChem CID53318876
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine
SMILESc1ccc(C/N=c2/c3ccccc3nc3n2CCC3)cc1
InChIInChI=1S/C18H17N3/c1-2-7-14(8-3-1)13-19-18-15-9-4-5-10-16(15)20-17-11-6-12-21(17)18/h1-5,7-10H,6,11-13H2/b19-18-
InChIKeyPDHVHMZUUOWWAP-HNENSFHCSA-N
XLogP3.08
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Deoxypeganine
CID 442894
1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline hydrochloride
CID 3046290
Dazepinil Hydrochloride
CID 11954359
2,3-dihydropyrrolo(2,1-b)quinazolin-9(1H)-imine
CID 21094663
Dazepinil
CID 53432
7,8,9,10,11,12,13,14,15,16-decahydroazacyclotridecino[2,1-b]quinazolin-18(6H)-imine
CID 3609939
2-(Piperidin-1-yl)benzo[cd]indole
CID 759534
2-(1-Benzyl-pyrrolidin-2-ylideneamino)benzonitrile
CID 758406
3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline
CID 9797962
3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-(9Z)-ylideneamine
CID 11360133
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
The IUPAC name of N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine (CID 53318876) is N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine.
What is the SMILES notation for N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
The canonical SMILES for N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine is c1ccc(C/N=c2/c3ccccc3nc3n2CCC3)cc1.
What is the InChIKey of N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
The InChIKey is PDHVHMZUUOWWAP-HNENSFHCSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-7-14(8-3-1)13-19-18-15-9-4-5-10-16(15)20-17-11-6-12-21(17)18/h1-5,7-10H,6,11-13H2/b19-18-.
What are the key properties of N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine has a molecular weight of 275.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine is sourced from PubChem (CID 53318876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).