N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide

C20H20N4O2 — CID 36823243

IUPACN-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(NC(N)=O)c2)c2ccccc2n1
InChIInChI=1S/C20H20N4O2/c1-12(2)18-11-16(15-8-3-4-9-17(15)24-18)19(25)22-13-6-5-7-14(10-13)23-20(21)26/h3-12H,1-2H3,(H,22,25)(H3,21,23,26)
InChIKeySAFYJKIJHJXTMX-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.10
Rot. Bonds4

About N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide

N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 36823243) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
PubChem CID36823243
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(NC(N)=O)c2)c2ccccc2n1
InChIInChI=1S/C20H20N4O2/c1-12(2)18-11-16(15-8-3-4-9-17(15)24-18)19(25)22-13-6-5-7-14(10-13)23-20(21)26/h3-12H,1-2H3,(H,22,25)(H3,21,23,26)
InChIKeySAFYJKIJHJXTMX-UHFFFAOYSA-N
XLogP4.10
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
CID 55551086
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562783
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891
N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide
CID 146077349
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-propan-2-ylquinoline-4-carboxamide
CID 18198200

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide (CID 36823243) is N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide is CC(C)c1cc(C(=O)Nc2cccc(NC(N)=O)c2)c2ccccc2n1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is SAFYJKIJHJXTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12(2)18-11-16(15-8-3-4-9-17(15)24-18)19(25)22-13-6-5-7-14(10-13)23-20(21)26/h3-12H,1-2H3,(H,22,25)(H3,21,23,26).
What are the key properties of N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide?
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 36823243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).