(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide

C17H24BrN5O — CID 163215900

IUPAC(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)[C@H](C)Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/C17H24BrN5O/c1-4-23(5-2)9-8-19-17(24)12(3)22-16-14-10-13(18)6-7-15(14)20-11-21-16/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,24)(H,20,21,22)/t12-/m0/s1
InChIKeyMDIFPRXHQFPYPN-LBPRGKRZSA-N
MW394.32 g/mol
LogP2.65
Rot. Bonds8

About (2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide

(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 163215900) has the molecular formula C17H24BrN5O and a molecular weight of 394.32 g/mol. Its IUPAC name is (2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide
PubChem CID163215900
Molecular FormulaC17H24BrN5O
Molecular Weight394.32 g/mol
Exact Mass393.12
IUPAC Name(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)[C@H](C)Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/C17H24BrN5O/c1-4-23(5-2)9-8-19-17(24)12(3)22-16-14-10-13(18)6-7-15(14)20-11-21-16/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,24)(H,20,21,22)/t12-/m0/s1
InChIKeyMDIFPRXHQFPYPN-LBPRGKRZSA-N
XLogP2.65
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436209
2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide
CID 175431192
(2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide
CID 175431191
(2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide
CID 126444405
2-[(6-bromoquinazolin-4-yl)amino]butanoic acid
CID 2787397
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-3-methylbutanoic acid
CID 725459
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide
CID 131931125
N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine
CID 23734239
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-1-(4-methylpiperazin-1-yl)butan-1-one
CID 163215892
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of (2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide (CID 163215900) is (2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide is CCN(CC)CCNC(=O)[C@H](C)Nc1ncnc2ccc(Br)cc12.
What is the InChIKey of (2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is MDIFPRXHQFPYPN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24BrN5O/c1-4-23(5-2)9-8-19-17(24)12(3)22-16-14-10-13(18)6-7-15(14)20-11-21-16/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,24)(H,20,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide?
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 394.32 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 163215900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).