N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine

C24H25ClN6O2 — CID 11751635

IUPACN-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine
SMILESC[C@H](CN(C)C)Oc1cccc2ncnc(Nc3ccc(OCc4cnccn4)c(Cl)c3)c12
InChIInChI=1S/C24H25ClN6O2/c1-16(13-31(2)3)33-22-6-4-5-20-23(22)24(29-15-28-20)30-17-7-8-21(19(25)11-17)32-14-18-12-26-9-10-27-18/h4-12,15-16H,13-14H2,1-3H3,(H,28,29,30)/t16-/m1/s1
InChIKeyKSEHVVCEIFMPAP-MRXNPFEDSA-N
MW464.96 g/mol
LogP4.72
Rot. Bonds9

About N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine

N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine (PubChem CID 11751635) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine
PubChem CID11751635
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC NameN-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine
SMILESC[C@H](CN(C)C)Oc1cccc2ncnc(Nc3ccc(OCc4cnccn4)c(Cl)c3)c12
InChIInChI=1S/C24H25ClN6O2/c1-16(13-31(2)3)33-22-6-4-5-20-23(22)24(29-15-28-20)30-17-7-8-21(19(25)11-17)32-14-18-12-26-9-10-27-18/h4-12,15-16H,13-14H2,1-3H3,(H,28,29,30)/t16-/m1/s1
InChIKeyKSEHVVCEIFMPAP-MRXNPFEDSA-N
XLogP4.72
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine?
The IUPAC name of N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine (CID 11751635) is N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine?
The canonical SMILES for N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine is C[C@H](CN(C)C)Oc1cccc2ncnc(Nc3ccc(OCc4cnccn4)c(Cl)c3)c12.
What is the InChIKey of N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine?
The InChIKey is KSEHVVCEIFMPAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-16(13-31(2)3)33-22-6-4-5-20-23(22)24(29-15-28-20)30-17-7-8-21(19(25)11-17)32-14-18-12-26-9-10-27-18/h4-12,15-16H,13-14H2,1-3H3,(H,28,29,30)/t16-/m1/s1.
What are the key properties of N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine?
N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine has a molecular weight of 464.96 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine is sourced from PubChem (CID 11751635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).