N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide

C20H20N2O2 — CID 32579560

IUPACN-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)NOCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-14(2)19-12-17(16-10-6-7-11-18(16)21-19)20(23)22-24-13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,22,23)
InChIKeyHLFIKSQCKVUWPN-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.22
Rot. Bonds5

About N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide

N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 32579560) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
PubChem CID32579560
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)NOCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-14(2)19-12-17(16-10-6-7-11-18(16)21-19)20(23)22-24-13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,22,23)
InChIKeyHLFIKSQCKVUWPN-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide
CID 146077349
N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide
CID 26996817
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534876
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide
CID 18229256
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate
CID 42886576
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide (CID 32579560) is N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide is CC(C)c1cc(C(=O)NOCc2ccccc2)c2ccccc2n1.
What is the InChIKey of N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is HLFIKSQCKVUWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(2)19-12-17(16-10-6-7-11-18(16)21-19)20(23)22-24-13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,22,23).
What are the key properties of N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide?
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 32579560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).