(1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone

C16H15N3O — CID 141181646

IUPAC(1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone
SMILESCc1c(N)c2ccccn2c1C(=O)c1ccc(N)cc1
InChIInChI=1S/C16H15N3O/c1-10-14(18)13-4-2-3-9-19(13)15(10)16(20)11-5-7-12(17)8-6-11/h2-9H,17-18H2,1H3
InChIKeySMAIMCDLXLEWLS-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.64
Rot. Bonds2

About (1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone

(1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone (PubChem CID 141181646) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone.

Molecular Properties

Compound Name(1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone
PubChem CID141181646
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone
SMILESCc1c(N)c2ccccn2c1C(=O)c1ccc(N)cc1
InChIInChI=1S/C16H15N3O/c1-10-14(18)13-4-2-3-9-19(13)15(10)16(20)11-5-7-12(17)8-6-11/h2-9H,17-18H2,1H3
InChIKeySMAIMCDLXLEWLS-UHFFFAOYSA-N
XLogP2.64
TPSA73.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-benzoyl-2-methylindolizin-1-yl)-dimethylsulfanium
CID 3578883
2-amino-3-(4-methoxybenzoyl)indolizine-1-carboxamide
CID 177255832
(E)-(diaminomethylideneamino)-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylidene]azanium
CID 135775153
ethyl N-methoxy-N-[4-(1-methoxy-2-methylindolizine-3-carbonyl)phenyl]carbamate
CID 87544866
2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide
CID 16955584
methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate
CID 66653263
ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate
CID 2387590
3-(4-amino-3-methoxycarbonylbenzoyl)-2-methylindolizine-1-carboxylic acid
CID 151503394
N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide
CID 2312208
2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide
CID 134519849
(1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 13400082
3-(1-bromo-2-methylindolizine-3-carbonyl)benzoic acid
CID 174680935

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone?
The IUPAC name of (1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone (CID 141181646) is (1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone.
What is the SMILES notation for (1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone?
The canonical SMILES for (1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone is Cc1c(N)c2ccccn2c1C(=O)c1ccc(N)cc1.
What is the InChIKey of (1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone?
The InChIKey is SMAIMCDLXLEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-14(18)13-4-2-3-9-19(13)15(10)16(20)11-5-7-12(17)8-6-11/h2-9H,17-18H2,1H3.
What are the key properties of (1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone?
(1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone has a molecular weight of 265.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone is sourced from PubChem (CID 141181646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).