(2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide

C19H24N6O — CID 124842175

IUPAC(2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide
SMILESCC(C)[C@@H](Nc1ncnc2ccccc12)C(=O)NCCc1nccn1C
InChIInChI=1S/C19H24N6O/c1-13(2)17(19(26)21-9-8-16-20-10-11-25(16)3)24-18-14-6-4-5-7-15(14)22-12-23-18/h4-7,10-13,17H,8-9H2,1-3H3,(H,21,26)(H,22,23,24)/t17-/m1/s1
InChIKeyBRRHECVPFHRBJB-QGZVFWFLSA-N
MW352.44 g/mol
LogP2.16
Rot. Bonds7

About (2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide

(2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide (PubChem CID 124842175) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide
PubChem CID124842175
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide
SMILESCC(C)[C@@H](Nc1ncnc2ccccc12)C(=O)NCCc1nccn1C
InChIInChI=1S/C19H24N6O/c1-13(2)17(19(26)21-9-8-16-20-10-11-25(16)3)24-18-14-6-4-5-7-15(14)22-12-23-18/h4-7,10-13,17H,8-9H2,1-3H3,(H,21,26)(H,22,23,24)/t17-/m1/s1
InChIKeyBRRHECVPFHRBJB-QGZVFWFLSA-N
XLogP2.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide
CID 126450772
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide
CID 119060671
N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436198
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
(2S,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6928136
N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436209
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
CID 24541708
N-[2-(1-methylimidazol-2-yl)ethyl]-1H-indazole-3-carboxamide
CID 62040532
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 51102465

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide?
The IUPAC name of (2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide (CID 124842175) is (2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide.
What is the SMILES notation for (2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide?
The canonical SMILES for (2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide is CC(C)[C@@H](Nc1ncnc2ccccc12)C(=O)NCCc1nccn1C.
What is the InChIKey of (2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide?
The InChIKey is BRRHECVPFHRBJB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13(2)17(19(26)21-9-8-16-20-10-11-25(16)3)24-18-14-6-4-5-7-15(14)22-12-23-18/h4-7,10-13,17H,8-9H2,1-3H3,(H,21,26)(H,22,23,24)/t17-/m1/s1.
What are the key properties of (2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide?
(2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide has a molecular weight of 352.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide is sourced from PubChem (CID 124842175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).