N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide

C25H25N5O4S — CID 101040253

IUPACN-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(C(C)c4ccc5ncnc(N)c5c4)C3=O)cc2c1
InChIInChI=1S/C25H25N5O4S/c1-15(17-5-8-22-21(13-17)24(26)28-14-27-22)30-10-9-23(25(30)31)29-35(32,33)20-7-4-16-3-6-19(34-2)11-18(16)12-20/h3-8,11-15,23,29H,9-10H2,1-2H3,(H2,26,27,28)/t15?,23-/m0/s1
InChIKeyQTECNZRCSPNEMN-GMTBNIFVSA-N
MW491.57 g/mol
LogP3.01
Rot. Bonds6

About N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide

N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide (PubChem CID 101040253) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide
PubChem CID101040253
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC NameN-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(C(C)c4ccc5ncnc(N)c5c4)C3=O)cc2c1
InChIInChI=1S/C25H25N5O4S/c1-15(17-5-8-22-21(13-17)24(26)28-14-27-22)30-10-9-23(25(30)31)29-35(32,33)20-7-4-16-3-6-19(34-2)11-18(16)12-20/h3-8,11-15,23,29H,9-10H2,1-2H3,(H2,26,27,28)/t15?,23-/m0/s1
InChIKeyQTECNZRCSPNEMN-GMTBNIFVSA-N
XLogP3.01
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(2-aminoquinolin-6-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide
CID 10116445
N-[(3S)-1-[(2-amino-3H-benzimidazol-5-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide
CID 134146016
7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 140986658
4-[2-[3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
CID 18989287
tert-butyl 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoate
CID 22017175
N-[(3S)-1-(3H-benzimidazol-5-ylmethyl)-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 70084732
3-[[(3R)-3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 10766061
(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
CID 69058635
[3-[[3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]thieno[2,3-c]pyridin-7-yl] 2,2,2-trifluoroacetate
CID 90830973
N-[(3S)-1-[(2-amino-1H-isoquinolin-6-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide;hydrochloride
CID 157178787
2-[4-methanehydrazonoyl-2-[[3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 67365960
6-chloro-N-[1-[1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 22017064

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide?
The IUPAC name of N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide (CID 101040253) is N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide?
The canonical SMILES for N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide is COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(C(C)c4ccc5ncnc(N)c5c4)C3=O)cc2c1.
What is the InChIKey of N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide?
The InChIKey is QTECNZRCSPNEMN-GMTBNIFVSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-15(17-5-8-22-21(13-17)24(26)28-14-27-22)30-10-9-23(25(30)31)29-35(32,33)20-7-4-16-3-6-19(34-2)11-18(16)12-20/h3-8,11-15,23,29H,9-10H2,1-2H3,(H2,26,27,28)/t15?,23-/m0/s1.
What are the key properties of N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide?
N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide has a molecular weight of 491.57 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[1-(4-aminoquinazolin-6-yl)ethyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide is sourced from PubChem (CID 101040253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).