N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide

C26H29FN4O — CID 68943724

IUPACN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(Cc1cccc(-c2cc(F)c3ncnc(NC4CC4)c3c2)c1)C1CC1
InChIInChI=1S/C26H29FN4O/c1-2-3-7-24(32)31(21-10-11-21)15-17-5-4-6-18(12-17)19-13-22-25(23(27)14-19)28-16-29-26(22)30-20-8-9-20/h4-6,12-14,16,20-21H,2-3,7-11,15H2,1H3,(H,28,29,30)
InChIKeyDGFMBSKHFHHIFK-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.69
Rot. Bonds9

About N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide

N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide (PubChem CID 68943724) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide
PubChem CID68943724
Molecular FormulaC26H29FN4O
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC NameN-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(Cc1cccc(-c2cc(F)c3ncnc(NC4CC4)c3c2)c1)C1CC1
InChIInChI=1S/C26H29FN4O/c1-2-3-7-24(32)31(21-10-11-21)15-17-5-4-6-18(12-17)19-13-22-25(23(27)14-19)28-16-29-26(22)30-20-8-9-20/h4-6,12-14,16,20-21H,2-3,7-11,15H2,1H3,(H,28,29,30)
InChIKeyDGFMBSKHFHHIFK-UHFFFAOYSA-N
XLogP5.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]thiophene-2-carboxamide
CID 68947039
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]-1-phenylmethanesulfonamide
CID 68945810
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 57435010
1-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol
CID 91354217
2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide
CID 57435011
N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]phenyl]quinazolin-4-amine;pentanoic acid
CID 172789188
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-3-phenylpropanamide
CID 68946700
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide
CID 57434885
6-chloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 87630600
N-cyclopropyl-3-phenyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]propanamide
CID 68947229
1-[[3-[4-(cyclopropylamino)-8-(trifluoromethyl)quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol
CID 90964446
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 68944181

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide?
The IUPAC name of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide (CID 68943724) is N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide?
The canonical SMILES for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide is CCCCC(=O)N(Cc1cccc(-c2cc(F)c3ncnc(NC4CC4)c3c2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide?
The InChIKey is DGFMBSKHFHHIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c1-2-3-7-24(32)31(21-10-11-21)15-17-5-4-6-18(12-17)19-13-22-25(23(27)14-19)28-16-29-26(22)30-20-8-9-20/h4-6,12-14,16,20-21H,2-3,7-11,15H2,1H3,(H,28,29,30).
What are the key properties of N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide?
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide has a molecular weight of 432.54 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-8-fluoroquinazolin-6-yl]phenyl]methyl]pentanamide is sourced from PubChem (CID 68943724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).