N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide

C19H20BrN5O — CID 46239453

IUPACN-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C19H20BrN5O/c1-25(2)9-8-18(26)23-15-6-7-17-16(11-15)19(22-12-21-17)24-14-5-3-4-13(20)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,26)(H,21,22,24)
InChIKeyFGNHHQRGJTYKKZ-UHFFFAOYSA-N
MW414.31 g/mol
LogP4.03
Rot. Bonds6

About N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide

N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide (PubChem CID 46239453) has the molecular formula C19H20BrN5O and a molecular weight of 414.31 g/mol. Its IUPAC name is N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide
PubChem CID46239453
Molecular FormulaC19H20BrN5O
Molecular Weight414.31 g/mol
Exact Mass413.09
IUPAC NameN-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C19H20BrN5O/c1-25(2)9-8-18(26)23-15-6-7-17-16(11-15)19(22-12-21-17)24-14-5-3-4-13(20)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,26)(H,21,22,24)
InChIKeyFGNHHQRGJTYKKZ-UHFFFAOYSA-N
XLogP4.03
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide?
The IUPAC name of N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide (CID 46239453) is N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide.
What is the SMILES notation for N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide?
The canonical SMILES for N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide is CN(C)CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide?
The InChIKey is FGNHHQRGJTYKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O/c1-25(2)9-8-18(26)23-15-6-7-17-16(11-15)19(22-12-21-17)24-14-5-3-4-13(20)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,26)(H,21,22,24).
What are the key properties of N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide?
N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide has a molecular weight of 414.31 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(dimethylamino)propanamide is sourced from PubChem (CID 46239453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).