3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide

C20H27ClN4O — CID 42809687

IUPAC3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(c1nc(C2CC2)nc2cc(Cl)ccc12)C(C)C
InChIInChI=1S/C20H27ClN4O/c1-12(2)22-18(26)9-10-25(13(3)4)20-16-8-7-15(21)11-17(16)23-19(24-20)14-5-6-14/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,22,26)
InChIKeyZZHGAJOJFQXHGM-UHFFFAOYSA-N
MW374.92 g/mol
LogP4.29
Rot. Bonds7

About 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide

3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide (PubChem CID 42809687) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide
PubChem CID42809687
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC Name3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(c1nc(C2CC2)nc2cc(Cl)ccc12)C(C)C
InChIInChI=1S/C20H27ClN4O/c1-12(2)22-18(26)9-10-25(13(3)4)20-16-8-7-15(21)11-17(16)23-19(24-20)14-5-6-14/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,22,26)
InChIKeyZZHGAJOJFQXHGM-UHFFFAOYSA-N
XLogP4.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 42809452
3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide
CID 42809604
3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide
CID 42809605
3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 42809683
(7-chloro-2-cyclopropylquinazolin-4-yl)hydrazine
CID 106583896
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80971413
3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300051
3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520185
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80971282
N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 42809242
2-[7-chloro-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 7739363
1-(2,5-dichlorobenzoyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxamide
CID 55618324

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide (CID 42809687) is 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(c1nc(C2CC2)nc2cc(Cl)ccc12)C(C)C.
What is the InChIKey of 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide?
The InChIKey is ZZHGAJOJFQXHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-12(2)22-18(26)9-10-25(13(3)4)20-16-8-7-15(21)11-17(16)23-19(24-20)14-5-6-14/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,22,26).
What are the key properties of 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide?
3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide has a molecular weight of 374.92 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 42809687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).