10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol

C17H18N2O — CID 123549932

IUPAC10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol
SMILESCCCn1c2cccnc2c2c3c(ccc21)C(O)CC3
InChIInChI=1S/C17H18N2O/c1-2-10-19-13-7-5-11-12(6-8-15(11)20)16(13)17-14(19)4-3-9-18-17/h3-5,7,9,15,20H,2,6,8,10H2,1H3
InChIKeyPRSRQKMKUIWBMW-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.58
Rot. Bonds2

About 10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol

10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol (PubChem CID 123549932) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol.

Molecular Properties

Compound Name10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol
PubChem CID123549932
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol
SMILESCCCn1c2cccnc2c2c3c(ccc21)C(O)CC3
InChIInChI=1S/C17H18N2O/c1-2-10-19-13-7-5-11-12(6-8-15(11)20)16(13)17-14(19)4-3-9-18-17/h3-5,7,9,15,20H,2,6,8,10H2,1H3
InChIKeyPRSRQKMKUIWBMW-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol with MolForge

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Related Compounds

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5-ethyl-9-methylpyrido[3,2-b]indole
CID 171509495
9-(1,3-oxazol-2-yl)-6-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol
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2-bromo-1-propylbenzimidazol-4-ol
CID 84804853
4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 112650653
4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 140933699
3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione
CID 16820310
10-methyl-6-propylpyrido[3,2-c][1,6]naphthyridin-5-one
CID 101205318
1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
CID 175815588
4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol
CID 123729415
4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 63090709

Frequently Asked Questions

What is the IUPAC name of 10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol?
The IUPAC name of 10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol (CID 123549932) is 10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol.
What is the SMILES notation for 10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol?
The canonical SMILES for 10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol is CCCn1c2cccnc2c2c3c(ccc21)C(O)CC3.
What is the InChIKey of 10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol?
The InChIKey is PRSRQKMKUIWBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-10-19-13-7-5-11-12(6-8-15(11)20)16(13)17-14(19)4-3-9-18-17/h3-5,7,9,15,20H,2,6,8,10H2,1H3.
What are the key properties of 10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol?
10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol has a molecular weight of 266.34 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propyl-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-ol is sourced from PubChem (CID 123549932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).