CID 89003008

C19H23BN4O3 — CID 89003008

IUPAC—
SMILES[B]c1ccccc1-c1cncc(N2CCC(NC(=O)OCCOC)CC2)n1
InChIInChI=1S/C19H23BN4O3/c1-26-10-11-27-19(25)22-14-6-8-24(9-7-14)18-13-21-12-17(23-18)15-4-2-3-5-16(15)20/h2-5,12-14H,6-11H2,1H3,(H,22,25)
InChIKeyPJQBTUMLZGSZML-UHFFFAOYSA-N
MW366.23 g/mol
LogP1.28
Rot. Bonds6

About CID 89003008

CID 89003008 (PubChem CID 89003008) has the molecular formula C19H23BN4O3 and a molecular weight of 366.23 g/mol.

Molecular Properties

Compound NameCID 89003008
PubChem CID89003008
Molecular FormulaC19H23BN4O3
Molecular Weight366.23 g/mol
Exact Mass366.19
IUPAC Name—
SMILES[B]c1ccccc1-c1cncc(N2CCC(NC(=O)OCCOC)CC2)n1
InChIInChI=1S/C19H23BN4O3/c1-26-10-11-27-19(25)22-14-6-8-24(9-7-14)18-13-21-12-17(23-18)15-4-2-3-5-16(15)20/h2-5,12-14H,6-11H2,1H3,(H,22,25)
InChIKeyPJQBTUMLZGSZML-UHFFFAOYSA-N
XLogP1.28
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]carbamate
CID 11949675
tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 154080126
2-methoxyethyl N-[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 135771832
tert-butyl 5-amino-3-[6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazin-2-yl]indole-1-carboxylate
CID 67960143
propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate
CID 174501315
methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 174487288
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 131423946
tert-butyl 5-carbamoyl-3-[6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazin-2-yl]indole-1-carboxylate
CID 67959731
N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen
CID 159794239
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
CID 15124700
2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate
CID 135547509

Frequently Asked Questions

What is the IUPAC name of CID 89003008?
The IUPAC name of CID 89003008 (CID 89003008) is not available.
What is the SMILES notation for CID 89003008?
The canonical SMILES for CID 89003008 is [B]c1ccccc1-c1cncc(N2CCC(NC(=O)OCCOC)CC2)n1.
What is the InChIKey of CID 89003008?
The InChIKey is PJQBTUMLZGSZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BN4O3/c1-26-10-11-27-19(25)22-14-6-8-24(9-7-14)18-13-21-12-17(23-18)15-4-2-3-5-16(15)20/h2-5,12-14H,6-11H2,1H3,(H,22,25).
What are the key properties of CID 89003008?
CID 89003008 has a molecular weight of 366.23 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89003008 is sourced from PubChem (CID 89003008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).