2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide

C24H25N5O2 — CID 150693148

IUPAC2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide
SMILESC=C(CC)C(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3ncc4ccccc4n3)C2)cc1
InChIInChI=1S/C24H25N5O2/c1-3-16(2)22(30)26-19-10-8-17(9-11-19)23(31)29-13-12-20(15-29)27-24-25-14-18-6-4-5-7-21(18)28-24/h4-11,14,20H,2-3,12-13,15H2,1H3,(H,26,30)(H,25,27,28)/t20-/m1/s1
InChIKeyJKHQLEAMZNVIPI-HXUWFJFHSA-N
MW415.50 g/mol
LogP3.86
Rot. Bonds6

About 2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide

2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide (PubChem CID 150693148) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide.

Molecular Properties

Compound Name2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide
PubChem CID150693148
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide
SMILESC=C(CC)C(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3ncc4ccccc4n3)C2)cc1
InChIInChI=1S/C24H25N5O2/c1-3-16(2)22(30)26-19-10-8-17(9-11-19)23(31)29-13-12-20(15-29)27-24-25-14-18-6-4-5-7-21(18)28-24/h4-11,14,20H,2-3,12-13,15H2,1H3,(H,26,30)(H,25,27,28)/t20-/m1/s1
InChIKeyJKHQLEAMZNVIPI-HXUWFJFHSA-N
XLogP3.86
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]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

Imatinib
CID 5291
Mocetinostat
CID 9865515
Bafetinib
CID 11387605
Sotrastaurin
CID 10296883
Thz531
CID 118025540
Bms-833923
CID 57662985
N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 11478363
Jnk-IN-7
CID 57340685
Jnk-IN-8
CID 57340686
2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 11675054
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
CID 24963046

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide?
The IUPAC name of 2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide (CID 150693148) is 2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide.
What is the SMILES notation for 2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide?
The canonical SMILES for 2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide is C=C(CC)C(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3ncc4ccccc4n3)C2)cc1.
What is the InChIKey of 2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide?
The InChIKey is JKHQLEAMZNVIPI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-16(2)22(30)26-19-10-8-17(9-11-19)23(31)29-13-12-20(15-29)27-24-25-14-18-6-4-5-7-21(18)28-24/h4-11,14,20H,2-3,12-13,15H2,1H3,(H,26,30)(H,25,27,28)/t20-/m1/s1.
What are the key properties of 2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide?
2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide has a molecular weight of 415.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-[4-[(3R)-3-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]butanamide is sourced from PubChem (CID 150693148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).