N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide

C22H27ClN4O3 — CID 93299995

IUPACN-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
SMILESCC[C@H](C)NC(=O)CCN(CCOC)c1nc(-c2ccco2)nc2cc(Cl)ccc12
InChIInChI=1S/C22H27ClN4O3/c1-4-15(2)24-20(28)9-10-27(11-13-29-3)22-17-8-7-16(23)14-18(17)25-21(26-22)19-6-5-12-30-19/h5-8,12,14-15H,4,9-11,13H2,1-3H3,(H,24,28)/t15-/m0/s1
InChIKeySPHIVJACENABSO-HNNXBMFYSA-N
MW430.94 g/mol
LogP4.30
Rot. Bonds10

About N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide

N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide (PubChem CID 93299995) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
PubChem CID93299995
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC NameN-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
SMILESCC[C@H](C)NC(=O)CCN(CCOC)c1nc(-c2ccco2)nc2cc(Cl)ccc12
InChIInChI=1S/C22H27ClN4O3/c1-4-15(2)24-20(28)9-10-27(11-13-29-3)22-17-8-7-16(23)14-18(17)25-21(26-22)19-6-5-12-30-19/h5-8,12,14-15H,4,9-11,13H2,1-3H3,(H,24,28)/t15-/m0/s1
InChIKeySPHIVJACENABSO-HNNXBMFYSA-N
XLogP4.30
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-(4-methoxyphenyl)propanamide
CID 42809628
N-(furan-2-ylmethyl)-3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 42809443
3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide
CID 83281449
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300001
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide
CID 93299874
N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 93140373
3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300051
3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide
CID 42809604
3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 42809506
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 83281447
N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
CID 21000703
N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 771696

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide (CID 93299995) is N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide is CC[C@H](C)NC(=O)CCN(CCOC)c1nc(-c2ccco2)nc2cc(Cl)ccc12.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide?
The InChIKey is SPHIVJACENABSO-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-4-15(2)24-20(28)9-10-27(11-13-29-3)22-17-8-7-16(23)14-18(17)25-21(26-22)19-6-5-12-30-19/h5-8,12,14-15H,4,9-11,13H2,1-3H3,(H,24,28)/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide?
N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide has a molecular weight of 430.94 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide is sourced from PubChem (CID 93299995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).