4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C24H27ClN2 — CID 142759135

IUPAC4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCc1ccc(Cl)c2c3c(n(CCCc4ccccc4)c12)CC1CCC3N1C
InChIInChI=1S/C24H27ClN2/c1-16-10-12-19(25)22-23-20-13-11-18(26(20)2)15-21(23)27(24(16)22)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10,12,18,20H,6,9,11,13-15H2,1-2H3
InChIKeyNHQWRCDRCNCSLN-UHFFFAOYSA-N
MW378.95 g/mol
LogP5.93
Rot. Bonds4

About 4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 142759135) has the molecular formula C24H27ClN2 and a molecular weight of 378.95 g/mol. Its IUPAC name is 4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID142759135
Molecular FormulaC24H27ClN2
Molecular Weight378.95 g/mol
Exact Mass378.19
IUPAC Name4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCc1ccc(Cl)c2c3c(n(CCCc4ccccc4)c12)CC1CCC3N1C
InChIInChI=1S/C24H27ClN2/c1-16-10-12-19(25)22-23-20-13-11-18(26(20)2)15-21(23)27(24(16)22)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10,12,18,20H,6,9,11,13-15H2,1-2H3
InChIKeyNHQWRCDRCNCSLN-UHFFFAOYSA-N
XLogP5.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.95
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene with MolForge

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Related Compounds

16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759487
9-[2-(4-methoxyphenyl)ethyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
CID 142759287
5-chloro-9-[2-(4-methoxyphenyl)ethyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 59285323
5-chloro-15-methyl-9-propyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 143870028
9-[2-(4-chlorophenyl)ethyl]-15-methyl-5-(trifluoromethoxy)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 67545513
(1S,5S)-3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 98056412
16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759372
(1R,12S)-5,15-dimethyl-9-[2-(2-methylpyrimidin-5-yl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 67545479
5,16-dimethyl-9-(2-pyridin-4-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraene
CID 142759237
ethane;bis(2-ethyloxirane);3-phenylpropylbenzene
CID 159337252
3-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propanenitrile
CID 59285359
5-methoxy-15-methyl-9-(2-phenoxyethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 142759562

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 142759135) is 4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is Cc1ccc(Cl)c2c3c(n(CCCc4ccccc4)c12)CC1CCC3N1C.
What is the InChIKey of 4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is NHQWRCDRCNCSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2/c1-16-10-12-19(25)22-23-20-13-11-18(26(20)2)15-21(23)27(24(16)22)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10,12,18,20H,6,9,11,13-15H2,1-2H3.
What are the key properties of 4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 378.95 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7,15-dimethyl-9-(3-phenylpropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 142759135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).