[4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol

C20H15N5O — CID 171053445

IUPAC[4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol
SMILESOCc1ccc(Nc2c3ccncc3nc3c2[nH]c2cnccc23)cc1
InChIInChI=1S/C20H15N5O/c26-11-12-1-3-13(4-2-12)23-18-14-5-7-21-9-16(14)24-19-15-6-8-22-10-17(15)25-20(18)19/h1-10,25-26H,11H2,(H,23,24)
InChIKeyHNHWNVYJFDGDRW-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.90
Rot. Bonds3

About [4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol

[4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol (PubChem CID 171053445) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is [4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol
PubChem CID171053445
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name[4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol
SMILESOCc1ccc(Nc2c3ccncc3nc3c2[nH]c2cnccc23)cc1
InChIInChI=1S/C20H15N5O/c26-11-12-1-3-13(4-2-12)23-18-14-5-7-21-9-16(14)24-19-15-6-8-22-10-17(15)25-20(18)19/h1-10,25-26H,11H2,(H,23,24)
InChIKeyHNHWNVYJFDGDRW-UHFFFAOYSA-N
XLogP3.90
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaene
CID 171053449
6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 171053458
[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol
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4-N,4-N-dimethyl-1-N-(4,8,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-9-yl)benzene-1,4-diamine
CID 171440251
4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518521
N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine
CID 170925111
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)anilino]ethanol
CID 63268630
N-(3-propan-2-ylphenyl)-6,9,14,16,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaen-2-amine
CID 176723132
[3,5-bis(acridin-9-ylamino)phenyl]methanol
CID 10368395
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
CID 174107142
CID 174107142
[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol
CID 23536033

Frequently Asked Questions

What is the IUPAC name of [4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol?
The IUPAC name of [4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol (CID 171053445) is [4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol.
What is the SMILES notation for [4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol?
The canonical SMILES for [4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol is OCc1ccc(Nc2c3ccncc3nc3c2[nH]c2cnccc23)cc1.
What is the InChIKey of [4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol?
The InChIKey is HNHWNVYJFDGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c26-11-12-1-3-13(4-2-12)23-18-14-5-7-21-9-16(14)24-19-15-6-8-22-10-17(15)25-20(18)19/h1-10,25-26H,11H2,(H,23,24).
What are the key properties of [4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol?
[4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol has a molecular weight of 341.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol is sourced from PubChem (CID 171053445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).