3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide

C17H21ClN4O2 — CID 42809683

IUPAC3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1nc(C2CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C17H21ClN4O2/c1-24-9-8-19-15(23)6-7-20-17-13-5-4-12(18)10-14(13)21-16(22-17)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyXECXZERZLFVKCS-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.73
Rot. Bonds8

About 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide

3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 42809683) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID42809683
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1nc(C2CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C17H21ClN4O2/c1-24-9-8-19-15(23)6-7-20-17-13-5-4-12(18)10-14(13)21-16(22-17)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyXECXZERZLFVKCS-UHFFFAOYSA-N
XLogP2.73
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 42809242
3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42809709
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
(7-chloro-2-cyclopropylquinazolin-4-yl)hydrazine
CID 106583896
3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide
CID 42809687
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 109015076
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103764472
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide (CID 42809683) is 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1nc(C2CC2)nc2cc(Cl)ccc12.
What is the InChIKey of 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is XECXZERZLFVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-24-9-8-19-15(23)6-7-20-17-13-5-4-12(18)10-14(13)21-16(22-17)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 348.83 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 42809683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).