7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene

C25H21NO — CID 167210298

IUPAC7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
SMILESCc1cc2c3c(cccc3c1)Oc1c-2ncc2cc(C3CCCC3)ccc12
InChIInChI=1S/C25H21NO/c1-15-11-18-7-4-8-22-23(18)21(12-15)24-25(27-22)20-10-9-17(13-19(20)14-26-24)16-5-2-3-6-16/h4,7-14,16H,2-3,5-6H2,1H3
InChIKeyXHTKFSPUKZKQQR-UHFFFAOYSA-N
MW351.45 g/mol
LogP7.13
Rot. Bonds1

About 7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene

7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene (PubChem CID 167210298) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene.

Molecular Properties

Compound Name7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
PubChem CID167210298
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
SMILESCc1cc2c3c(cccc3c1)Oc1c-2ncc2cc(C3CCCC3)ccc12
InChIInChI=1S/C25H21NO/c1-15-11-18-7-4-8-22-23(18)21(12-15)24-25(27-22)20-10-9-17(13-19(20)14-26-24)16-5-2-3-6-16/h4,7-14,16H,2-3,5-6H2,1H3
InChIKeyXHTKFSPUKZKQQR-UHFFFAOYSA-N
XLogP7.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene with MolForge

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Related Compounds

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8-cyclohexyl-1-(3,5-dimethylphenyl)-4-methylbenzo[h]isoquinoline
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7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline
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15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164748368
15-cyclopentyl-3,7,10,20-tetramethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
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2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine
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6-cyclopentyl-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene
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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?
The IUPAC name of 7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene (CID 167210298) is 7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene.
What is the SMILES notation for 7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?
The canonical SMILES for 7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene is Cc1cc2c3c(cccc3c1)Oc1c-2ncc2cc(C3CCCC3)ccc12.
What is the InChIKey of 7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?
The InChIKey is XHTKFSPUKZKQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-15-11-18-7-4-8-22-23(18)21(12-15)24-25(27-22)20-10-9-17(13-19(20)14-26-24)16-5-2-3-6-16/h4,7-14,16H,2-3,5-6H2,1H3.
What are the key properties of 7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?
7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene has a molecular weight of 351.45 g/mol, XLogP of 7.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene is sourced from PubChem (CID 167210298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).