(4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone

C17H15N5O — CID 19699088

IUPAC(4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone
SMILESNc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cc1
InChIInChI=1S/C17H15N5O/c18-13-5-3-11(4-6-13)17(23)22-9-7-12-10-20-21-15(12)16-14(22)2-1-8-19-16/h1-6,8,10H,7,9,18H2,(H,20,21)
InChIKeyICAMNESWEZOUKN-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.26
Rot. Bonds1

About (4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone

(4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone (PubChem CID 19699088) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is (4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone
PubChem CID19699088
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name(4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone
SMILESNc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cc1
InChIInChI=1S/C17H15N5O/c18-13-5-3-11(4-6-13)17(23)22-9-7-12-10-20-21-15(12)16-14(22)2-1-8-19-16/h1-6,8,10H,7,9,18H2,(H,20,21)
InChIKeyICAMNESWEZOUKN-UHFFFAOYSA-N
XLogP2.26
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone with MolForge

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Related Compounds

5-fluoro-2-methyl-N-[4-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)phenyl]benzamide
CID 19699096
5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
CID 19699094
5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
CID 19699131
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
1-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1-benzazocin-6-one
CID 19608125
(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
(4-aminophenyl)-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
CID 10618387
1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349346
2,3-dihydroindol-1-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 43325624
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 83212613
4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid
CID 139432787

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone?
The IUPAC name of (4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone (CID 19699088) is (4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone is Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cc1.
What is the InChIKey of (4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone?
The InChIKey is ICAMNESWEZOUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-13-5-3-11(4-6-13)17(23)22-9-7-12-10-20-21-15(12)16-14(22)2-1-8-19-16/h1-6,8,10H,7,9,18H2,(H,20,21).
What are the key properties of (4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone?
(4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone has a molecular weight of 305.34 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone is sourced from PubChem (CID 19699088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).