N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide

C16H21N3O2 — CID 146077349

IUPACN-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(N)CONC(=O)c1cc(C(C)C)nc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-10(2)15-8-13(16(20)19-21-9-11(3)17)12-6-4-5-7-14(12)18-15/h4-8,10-11H,9,17H2,1-3H3,(H,19,20)
InChIKeyBDYZNJZGFAUHHI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.37
Rot. Bonds5

About N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide

N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 146077349) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide
PubChem CID146077349
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(N)CONC(=O)c1cc(C(C)C)nc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-10(2)15-8-13(16(20)19-21-9-11(3)17)12-6-4-5-7-14(12)18-15/h4-8,10-11H,9,17H2,1-3H3,(H,19,20)
InChIKeyBDYZNJZGFAUHHI-UHFFFAOYSA-N
XLogP2.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534876
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 31797853
(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate
CID 42886576
N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide
CID 26996817
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide (CID 146077349) is N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide is CC(N)CONC(=O)c1cc(C(C)C)nc2ccccc12.
What is the InChIKey of N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is BDYZNJZGFAUHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)15-8-13(16(20)19-21-9-11(3)17)12-6-4-5-7-14(12)18-15/h4-8,10-11H,9,17H2,1-3H3,(H,19,20).
What are the key properties of N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide?
N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 146077349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).