N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C21H18N6O — CID 112866755

IUPACN-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)cc1
InChIInChI=1S/C21H18N6O/c1-14(28)25-16-7-9-17(10-8-16)26-19-12-20(24-13-23-19)27-18-6-2-4-15-5-3-11-22-21(15)18/h2-13H,1H3,(H,25,28)(H2,23,24,26,27)
InChIKeyLUXCTJJCKQHWFD-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.47
Rot. Bonds5

About N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112866755) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112866755
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC NameN-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)cc1
InChIInChI=1S/C21H18N6O/c1-14(28)25-16-7-9-17(10-8-16)26-19-12-20(24-13-23-19)27-18-6-2-4-15-5-3-11-22-21(15)18/h2-13H,1H3,(H,25,28)(H2,23,24,26,27)
InChIKeyLUXCTJJCKQHWFD-UHFFFAOYSA-N
XLogP4.47
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112865422
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357666
6-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866920
methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate
CID 112989327
5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109245897
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109353483
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866573
3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide
CID 112989286
N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112866755) is N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)cc1.
What is the InChIKey of N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is LUXCTJJCKQHWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-14(28)25-16-7-9-17(10-8-16)26-19-12-20(24-13-23-19)27-18-6-2-4-15-5-3-11-22-21(15)18/h2-13H,1H3,(H,25,28)(H2,23,24,26,27).
What are the key properties of N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 370.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112866755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).