N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide

C20H16ClN7O — CID 19144781

IUPACN'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C20H16ClN7O/c21-14-7-1-5-13(10-14)20(29)28-27-19-16(22)18(24-11-25-19)26-15-8-2-4-12-6-3-9-23-17(12)15/h1-11H,22H2,(H,28,29)(H2,24,25,26,27)
InChIKeySDRJBOJWDSPKQB-UHFFFAOYSA-N
MW405.85 g/mol
LogP3.76
Rot. Bonds5

About N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide

N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide (PubChem CID 19144781) has the molecular formula C20H16ClN7O and a molecular weight of 405.85 g/mol. Its IUPAC name is N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
PubChem CID19144781
Molecular FormulaC20H16ClN7O
Molecular Weight405.85 g/mol
Exact Mass405.11
IUPAC NameN'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C20H16ClN7O/c21-14-7-1-5-13(10-14)20(29)28-27-19-16(22)18(24-11-25-19)26-15-8-2-4-12-6-3-9-23-17(12)15/h1-11H,22H2,(H,28,29)(H2,24,25,26,27)
InChIKeySDRJBOJWDSPKQB-UHFFFAOYSA-N
XLogP3.76
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.85
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151582
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 19144770
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151561
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22541026
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19144912
N'-[5-amino-6-(5-chloro-2,4-dimethoxyanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151549
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19148807
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19144908
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19135280
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564
N'-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139147

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide (CID 19144781) is N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide is Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1cccc2cccnc12.
What is the InChIKey of N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The InChIKey is SDRJBOJWDSPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7O/c21-14-7-1-5-13(10-14)20(29)28-27-19-16(22)18(24-11-25-19)26-15-8-2-4-12-6-3-9-23-17(12)15/h1-11H,22H2,(H,28,29)(H2,24,25,26,27).
What are the key properties of N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide has a molecular weight of 405.85 g/mol, XLogP of 3.76, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide is sourced from PubChem (CID 19144781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).