N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide

C29H28N4O — CID 57435021

IUPACN-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide
SMILESCC(c1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)N(C(=O)c1ccccc1)C1CC1
InChIInChI=1S/C29H28N4O/c1-19(33(25-13-14-25)29(34)20-6-3-2-4-7-20)21-8-5-9-22(16-21)23-10-15-27-26(17-23)28(31-18-30-27)32-24-11-12-24/h2-10,15-19,24-25H,11-14H2,1H3,(H,30,31,32)
InChIKeyHVBLQJWAWKKROL-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.24
Rot. Bonds7

About N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide

N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide (PubChem CID 57435021) has the molecular formula C29H28N4O and a molecular weight of 448.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide
PubChem CID57435021
Molecular FormulaC29H28N4O
Molecular Weight448.57 g/mol
Exact Mass448.23
IUPAC NameN-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide
SMILESCC(c1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)N(C(=O)c1ccccc1)C1CC1
InChIInChI=1S/C29H28N4O/c1-19(33(25-13-14-25)29(34)20-6-3-2-4-7-20)21-8-5-9-22(16-21)23-10-15-27-26(17-23)28(31-18-30-27)32-24-11-12-24/h2-10,15-19,24-25H,11-14H2,1H3,(H,30,31,32)
InChIKeyHVBLQJWAWKKROL-UHFFFAOYSA-N
XLogP6.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide?
The IUPAC name of N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide (CID 57435021) is N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide is CC(c1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)N(C(=O)c1ccccc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide?
The InChIKey is HVBLQJWAWKKROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O/c1-19(33(25-13-14-25)29(34)20-6-3-2-4-7-20)21-8-5-9-22(16-21)23-10-15-27-26(17-23)28(31-18-30-27)32-24-11-12-24/h2-10,15-19,24-25H,11-14H2,1H3,(H,30,31,32).
What are the key properties of N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide?
N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]ethyl]benzamide is sourced from PubChem (CID 57435021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).