N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C23H21N5O2 — CID 109317983

IUPACN-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C23H21N5O2/c1-15(2)30-20-11-4-3-9-17(20)26-22(29)19-12-14-25-23(28-19)27-18-10-5-7-16-8-6-13-24-21(16)18/h3-15H,1-2H3,(H,26,29)(H,25,27,28)
InChIKeyBWDAPEMMOHMDDD-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.81
Rot. Bonds6

About N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide

N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109317983) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109317983
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C23H21N5O2/c1-15(2)30-20-11-4-3-9-17(20)26-22(29)19-12-14-25-23(28-19)27-18-10-5-7-16-8-6-13-24-21(16)18/h3-15H,1-2H3,(H,26,29)(H,25,27,28)
InChIKeyBWDAPEMMOHMDDD-UHFFFAOYSA-N
XLogP4.81
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912
N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129615
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313745
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520
2-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317703
4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905125
N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315229
N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109315206
N-(3-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317966
2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314065

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109317983) is N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is CC(C)Oc1ccccc1NC(=O)c1ccnc(Nc2cccc3cccnc23)n1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is BWDAPEMMOHMDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15(2)30-20-11-4-3-9-17(20)26-22(29)19-12-14-25-23(28-19)27-18-10-5-7-16-8-6-13-24-21(16)18/h3-15H,1-2H3,(H,26,29)(H,25,27,28).
What are the key properties of N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).