2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline

C17H17N3 — CID 11615907

IUPAC2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline
SMILESNc1ccccc1C1CCN2Cc3ccccc3N=C12
InChIInChI=1S/C17H17N3/c18-15-7-3-2-6-13(15)14-9-10-20-11-12-5-1-4-8-16(12)19-17(14)20/h1-8,14H,9-11,18H2
InChIKeyUZROCPSMHKOYDS-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.30
Rot. Bonds1

About 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline

2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline (PubChem CID 11615907) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline.

Molecular Properties

Compound Name2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline
PubChem CID11615907
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline
SMILESNc1ccccc1C1CCN2Cc3ccccc3N=C12
InChIInChI=1S/C17H17N3/c18-15-7-3-2-6-13(15)14-9-10-20-11-12-5-1-4-8-16(12)19-17(14)20/h1-8,14H,9-11,18H2
InChIKeyUZROCPSMHKOYDS-UHFFFAOYSA-N
XLogP3.30
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol
CID 53299012
(R)-(4-nitrophenyl)-[(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl]methanol;hydrate
CID 139081496
2,8-dihydro-1H-azeto[2,1-b]quinazoline
CID 15852512
1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol
CID 46336027
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl N-[(4-methoxyphenyl)methyl]carbamate
CID 42648559
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 10241903
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2H-1,4-benzoxazin-6-amine
CID 82368103
2-chloro-3-phenyl-4H-quinazoline
CID 174952978
(11S,11aS)-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
CID 54082330
5-methyl-2-(4-phenylphenyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 101460622
(5S)-5-(3,5-difluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine
CID 124563593
(5R)-5-(3,5-difluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine
CID 124563594

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline?
The IUPAC name of 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline (CID 11615907) is 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline.
What is the SMILES notation for 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline?
The canonical SMILES for 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline is Nc1ccccc1C1CCN2Cc3ccccc3N=C12.
What is the InChIKey of 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline?
The InChIKey is UZROCPSMHKOYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-15-7-3-2-6-13(15)14-9-10-20-11-12-5-1-4-8-16(12)19-17(14)20/h1-8,14H,9-11,18H2.
What are the key properties of 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline?
2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline has a molecular weight of 263.34 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline is sourced from PubChem (CID 11615907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).